| Properties | Image |
MNX_ID | MNXM343324 |
 |
reference | chebi:122099 |
formula | C23H26N4O2S |
global charge | 0 |
mol weight | 422.554 |
InChIKey | CQGCFJFNPWNIKV-UHFFFAOYSA-N |
InChI | InChI=1S/C23H26N4O2S/c1-26(15-7-3-2-4-8-15)23(28)20-19(24)18-16-9-5-6-10-17(16)21(25-22(18)30-20)27-11-13-29-14-12-27/h2-4,7-8H,5-6,9-14,24H2,1H3 |
SMILES | CN(C(=O)C1=C(N)C2=C3CCCCC3=C(N3CCOCC3)N=C2S1)C1=CC=CC=C1 |
MNX internals
InChI (mnx) | InChI=1/C23H26N4O2S/c1-26(15-7-3-2-4-8-15)23(28)20-19(24)18-16-9-5-6-10-17(16)21(25-22(18)30-20)27-11-13-29-14-12-27/h2-4,7-8H,5-6,9-14,24H2,1H3 |
 |
SMILES (mnx) | [CH3:1][N:26]([C:15]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[C:23]([C:20]1=[C:19]([NH2:24])[C:18]2=[C:22]([N:25]=[C:21]([N:27]3[CH2:11][CH2:13][O:29][CH2:14][CH2:12]3)[C:17]3=[C:16]2[CH2:9][CH2:5][CH2:6][CH2:10]3)[S:30]1)=[O:28] |
|