S-(4-methylpiperazin-1-yl) 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioate

Systemtic Name: S-(4-methylpiperazin-1-yl) 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioate Openeye Name: S-(4-methylpiperazin-1-yl) 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioate CAS Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioic acid S-(4-methyl-1-piperazinyl) ester IUPAC Name: S-(4-methylpiperazin-1-yl) 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioate Traditional Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioic acid S-(4-methylpiperazino) ester Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)SC(=O)CC2=CC3=C(C=C2)SCC4=CC=CC=C4C3

Isomeric SMILES

CN1CCN(CC1)SC(=O)CC2=CC3=C(C=C2)SCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2OS2/c1-22-8-10-23(11-9-22)26-21(24)13-16-6-7-20-19(12-16)14-17-4-2-3-5-18(17)15-25-20/h2-7,12H,8-11,13-15H2,1H3