4-[1-chloranyl-2-[(2-methyl-4-phenyl-butan-2-yl)amino]ethyl]-2-methylsulfanyl-phenol hydrochloride

Systemtic Name: 4-[1-chloranyl-2-[(2-methyl-4-phenyl-butan-2-yl)amino]ethyl]-2-methylsulfanyl-phenol hydrochloride Openeye Name: 4-[1-chloro-2-[(1,1-dimethyl-3-phenyl-propyl)amino]ethyl]-2-methylsulfanyl-phenol hydrochloride CAS Name: 4-[1-chloro-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-2-(methylthio)phenol hydrochloride IUPAC Name: 4-[1-chloro-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-2-methylsulfanylphenol hydrochloride Traditional Name: 4-[1-chloro-2-[(1,1-dimethyl-3-phenyl-propyl)amino]ethyl]-2-(methylthio)phenol hydrochloride Formula: C20H27Cl2NOS MolecularWeight: 400.40548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)SC)Cl.Cl

Isomeric SMILES

CC(C)(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)SC)Cl.Cl

InChI

InChI=1S/C20H26ClNOS.ClH/c1-20(2,12-11-15-7-5-4-6-8-15)22-14-17(21)16-9-10-18(23)19(13-16)24-3;/h4-10,13,17,22-23H,11-12,14H2,1-3H3;1H