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

Systemtic Name: 3-methoxy-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Openeye Name: 3-methoxy-12-(4-methylpiperazin-1-yl)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine CAS Name: 3-methoxy-12-(4-methyl-1-piperazinyl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine IUPAC Name: 3-methoxy-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Traditional Name: 3-methoxy-12-(4-methylpiperazino)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C4=C(C=C(C=C4)OC)SC3=NC5=CC=CC=C5N2

Isomeric SMILES

CN1CCN(CC1)C2=C3C4=C(C=C(C=C4)OC)SC3=NC5=CC=CC=C5N2

InChI

InChI=1S/C21H22N4OS/c1-24-9-11-25(12-10-24)20-19-15-8-7-14(26-2)13-18(15)27-21(19)23-17-6-4-3-5-16(17)22-20/h3-8,13,22H,9-12H2,1-2H3