8-methyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine

Systemtic Name: 8-methyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Openeye Name: 8-methyl-12-(4-methylpiperazin-1-yl)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine CAS Name: 8-methyl-12-(4-methyl-1-piperazinyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine IUPAC Name: 8-methyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Traditional Name: 8-methyl-12-(4-methylpiperazino)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(N2)SC4=CC=CC=C43)N5CCN(CC5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(N2)SC4=CC=CC=C43)N5CCN(CC5)C

InChI

InChI=1S/C21H22N4S/c1-14-7-8-16-17(13-14)23-21-19(15-5-3-4-6-18(15)26-21)20(22-16)25-11-9-24(2)10-12-25/h3-8,13,23H,9-12H2,1-2H3