1-(3-chloranyl-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine

Systemtic Name: 1-(3-chloranyl-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Openeye Name: 1-(3-chloro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine CAS Name: 1-(3-chloro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine IUPAC Name: 1-(3-chloro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine Traditional Name: 1-(3-chloro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Formula: C20H23ClN2S MolecularWeight: 358.92802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC3=C(S2)C=CC(=C3)Cl)N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC3=C(S2)C=CC(=C3)Cl)N4CCN(CC4)C

InChI

InChI=1S/C20H23ClN2S/c1-14-3-5-17-18(23-9-7-22(2)8-10-23)13-15-12-16(21)4-6-19(15)24-20(17)11-14/h3-6,11-12,18H,7-10,13H2,1-2H3