1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea

Properties Image MNX_ID MNXM340868 reference chebi:107262 formula C21H28N6OS global charge 0 mol weight 412.563 InChIKey BYPBUCYYZAEHDB-UHFFFAOYSA-N InChI InChI=1S/C21H28N6OS/c1-16-3-4-17-14-18(15-22)20(26-19(17)13-16)23-6-7-25-21(29)24-5-2-8-27-9-11-28-12-10-27/h3-4,13-14H,2,5-12H2,1H3,(H,23,26)(H2,24,25,29) SMILES CC1=CC2=C(C=C1)C=C(C#N)C(NCCNC(=S)NCCCN1CCOCC1)=N2 MNX internals InChI (mnx) InChI=1/C21H28N6OS/c1-16-3-4-17-14-18(15-22)20(26-19(17)13-16)23-6-7-25-21(29)24-5-2-8-27-9-11-28-12-10-27/h3-4,13-14H,2,5-12H2,1H3,(H,23,26)(H2,24,25,29) SMILES (mnx) [CH3:1][C:16]1=[CH:13][C:19]2=[N:26][C:20]([NH:23][CH2:6][CH2:7][NH:25][C:21](=[N:24][CH2:5][CH2:2][CH2:8][N:27]3[CH2:9][CH2:11][O:28][CH2:12][CH2:10]3)[SH:29])=[C:18]([C:15]#[N:22])[CH:14]=[C:17]2[CH:4]=[CH:3]1

Parent-child relations graph

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