3-methyl-N-phenethyl-2-(phenylmethylsulfanyl)butan-1-amine hydrochloride

Systemtic Name: 3-methyl-N-phenethyl-2-(phenylmethylsulfanyl)butan-1-amine hydrochloride Openeye Name: 2-benzylsulfanyl-3-methyl-N-phenethyl-butan-1-amine hydrochloride CAS Name: 3-methyl-N-phenethyl-2-(phenylmethylthio)-1-butanamine hydrochloride IUPAC Name: 2-benzylsulfanyl-3-methyl-N-phenethylbutan-1-amine hydrochloride Traditional Name: [2-(benzylthio)-3-methyl-butyl]-phenethyl-amine hydrochloride Formula: C20H28ClNS MolecularWeight: 349.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCCC1=CC=CC=C1)SCC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)C(CNCCC1=CC=CC=C1)SCC2=CC=CC=C2.Cl

InChI

InChI=1S/C20H27NS.ClH/c1-17(2)20(22-16-19-11-7-4-8-12-19)15-21-14-13-18-9-5-3-6-10-18;/h3-12,17,20-21H,13-16H2,1-2H3;1H