N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-propan-2-yl-propan-2-amine hydrochloride

Systemtic Name: N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-propan-2-yl-propan-2-amine hydrochloride Openeye Name: N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-isopropyl-propan-2-amine hydrochloride CAS Name: N-[2-(5-benzo[b][1]benzothiepinylthio)ethyl]-N-propan-2-yl-2-propanamine hydrochloride IUPAC Name: N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-propan-2-ylpropan-2-amine hydrochloride Traditional Name: 2-(benzo[b][1]benzothiepin-5-ylthio)ethyl-diisopropyl-amine hydrochloride Formula: C22H28ClNS2 MolecularWeight: 406.04742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCSC1=CC2=CC=CC=C2SC3=CC=CC=C31)C(C)C.Cl

Isomeric SMILES

CC(C)N(CCSC1=CC2=CC=CC=C2SC3=CC=CC=C31)C(C)C.Cl

InChI

InChI=1S/C22H27NS2.ClH/c1-16(2)23(17(3)4)13-14-24-22-15-18-9-5-7-11-20(18)25-21-12-8-6-10-19(21)22;/h5-12,15-17H,13-14H2,1-4H3;1H