3-chloranyl-N-phenethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine hydrochloride

Systemtic Name: 3-chloranyl-N-phenethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine hydrochloride Openeye Name: 3-chloro-N-phenethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine hydrochloride CAS Name: 3-chloro-N-phenethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine hydrochloride IUPAC Name: 3-chloro-N-phenethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine hydrochloride Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-phenethyl-amine hydrochloride Formula: C22H21Cl2NS MolecularWeight: 402.37984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)NCCC4=CC=CC=C4.Cl

Isomeric SMILES

C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)NCCC4=CC=CC=C4.Cl

InChI

InChI=1S/C22H20ClNS.ClH/c23-18-10-11-21-17(14-18)15-20(19-8-4-5-9-22(19)25-21)24-13-12-16-6-2-1-3-7-16;/h1-11,14,20,24H,12-13,15H2;1H