1-methyl-4-(8-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 1-methyl-4-(8-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-methyl-4-(8-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-methyl-4-[8-methyl-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine IUPAC Name: 1-methyl-4-(8-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-methyl-4-[8-methyl-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Formula: C21H26N2S2 MolecularWeight: 370.57454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)SC)C(C2)N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)SC)C(C2)N4CCN(CC4)C

InChI

InChI=1S/C21H26N2S2/c1-15-4-6-20-16(12-15)13-19(23-10-8-22(2)9-11-23)18-14-17(24-3)5-7-21(18)25-20/h4-7,12,14,19H,8-11,13H2,1-3H3