2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N,N-dimethyl-ethanamine Openeye Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N,N-dimethyl-ethanamine CAS Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]-N,N-dimethylethanamine IUPAC Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N,N-dimethylethanamine Traditional Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]ethyl-dimethyl-amine Formula: C18H20ClNS2 MolecularWeight: 349.9411

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

CN(C)CCSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

InChI

InChI=1S/C18H20ClNS2/c1-20(2)9-10-21-18-12-13-11-14(19)7-8-16(13)22-17-6-4-3-5-15(17)18/h3-8,11,18H,9-10,12H2,1-2H3