1-(3-chloranyl-8-methylsulfanyl-benzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine

Systemtic Name: 1-(3-chloranyl-8-methylsulfanyl-benzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Openeye Name: 1-(3-chloro-8-methylsulfanyl-benzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine CAS Name: 1-[3-chloro-8-(methylthio)-6-benzo[b][1]benzothiepinyl]-4-methylpiperazine IUPAC Name: 1-(3-chloro-8-methylsulfanylbenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine Traditional Name: 1-[3-chloro-8-(methylthio)benzo[b][1]benzothiepin-6-yl]-4-methyl-piperazine Formula: C20H21ClN2S2 MolecularWeight: 388.97714

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)SC

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)SC

InChI

InChI=1S/C20H21ClN2S2/c1-22-7-9-23(10-8-22)18-12-14-11-15(21)3-5-19(14)25-20-6-4-16(24-2)13-17(18)20/h3-6,11-13H,7-10H2,1-2H3