MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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amocarzine

	Properties	Image
MNX_ID	MNXM41922
reference	chebi:38946
formula	C₁₈H₂₁N₅O₂S
global charge	0
mol weight	371.466
InChIKey	UFLRJROFPAGRPN-UHFFFAOYSA-N
InChI	InChI=1S/C18H21N5O2S/c1-21-10-12-22(13-11-21)18(26)20-16-4-2-14(3-5-16)19-15-6-8-17(9-7-15)23(24)25/h2-9,19H,10-13H2,1H3,(H,20,26)
SMILES	CN1CCN(C(=S)NC2=CC=C(NC3=CC=C([N+](=O)[O-])C=C3)C=C2)CC1

MNX internals

InChI (mnx)	InChI=1/C18H21N5O2S/c1-21-10-12-22(13-11-21)18(26)20-16-4-2-14(3-5-16)19-15-6-8-17(9-7-15)23(24)25/h2-9,19H,10-13H2,1H3,(H,20,26)
SMILES (mnx)	[CH3:1][N:21]1[CH2:10][CH2:12][N:22]([C:18]([NH:20][C:16]2=[CH:5][CH:3]=[C:14]([NH:19][C:15]3=[CH:7][CH:9]=[C:17]([N+:23]([O-:24])=[O:25])[CH:8]=[CH:6]3)[CH:2]=[CH:4]2)=[S:26])[CH2:13][CH2:11]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:38946 chebi:38946 UFLRJROFPAGRPN-UHFFFAOYSA-N	amocarzine 4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-1-piperazinecarbothioamide 4-methyl-N-{4-[(4-nitrophenyl)amino]phenyl}piperazine-1-carbothioamide amocarzina amocarzinum phenthiourezine
hmdb:HMDB0248345 UFLRJROFPAGRPN-UHFFFAOYSA-N	Amocarzine 4-Methyl-N-(4-((4-nitrophenyl)amino)phenyl)-1-piperazinecarbothioamide 4-Nitro-4'-(N-methyl)piperazinyl thiocarbonylidodiphenylamine 4-methyl-N-{4-[(4-nitrophenyl)amino]phenyl}piperazine-1-carbothioamide Amocarzina Amocarzinum Phenithiourezine Phenthiourezine amocarzine