1-methyl-4-[3-(2-methylpropylsulfanyl)benzo[b][1]benzothiepin-5-yl]piperazine

Systemtic Name: 1-methyl-4-[3-(2-methylpropylsulfanyl)benzo[b][1]benzothiepin-5-yl]piperazine Openeye Name: 1-(3-isobutylsulfanylbenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-methyl-4-[3-(2-methylpropylthio)-5-benzo[b][1]benzothiepinyl]piperazine IUPAC Name: 1-methyl-4-[3-(2-methylpropylsulfanyl)benzo[b][1]benzothiepin-5-yl]piperazine Traditional Name: 1-[3-(isobutylthio)benzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine Formula: C23H28N2S2 MolecularWeight: 396.61182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)C

Isomeric SMILES

CC(C)CSC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)C

InChI

InChI=1S/C23H28N2S2/c1-17(2)16-26-19-8-9-23-20(15-19)21(25-12-10-24(3)11-13-25)14-18-6-4-5-7-22(18)27-23/h4-9,14-15,17H,10-13,16H2,1-3H3