3-methyl-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine

Systemtic Name: 3-methyl-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Openeye Name: 3-methyl-12-(4-methylpiperazin-1-yl)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine CAS Name: 3-methyl-12-(4-methyl-1-piperazinyl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine IUPAC Name: 3-methyl-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Traditional Name: 3-methyl-12-(4-methylpiperazino)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C(NC4=CC=CC=C4N=C3S2)N5CCN(CC5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C(NC4=CC=CC=C4N=C3S2)N5CCN(CC5)C

InChI

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