3-chloranyl-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide

Systemtic Name: 3-chloranyl-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Openeye Name: 3-chloro-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide CAS Name: 3-chloro-9-methoxy-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide IUPAC Name: 3-chloro-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Traditional Name: 3-chloro-9-methoxy-5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)S(=O)C4=C2C=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)S(=O)C4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-22-7-9-23(10-8-22)18-11-14-3-5-16(25-2)13-20(14)26(24)19-6-4-15(21)12-17(18)19/h3-6,12-13,18H,7-11H2,1-2H3