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

Systemtic Name: 4-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-1-methyl-piperidine Openeye Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-1-methyl-piperidine CAS Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]-1-methylpiperidine IUPAC Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-1-methylpiperidine Traditional Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]-1-methyl-piperidine Formula: C20H22ClNS2 MolecularWeight: 375.97838

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)SC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

CN1CCC(CC1)SC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C20H22ClNS2/c1-22-10-8-16(9-11-22)23-20-13-14-12-15(21)6-7-18(14)24-19-5-3-2-4-17(19)20/h2-7,12,16,20H,8-11,13H2,1H3