4-[1-chloranyl-2-(4-phenylbutan-2-ylamino)ethyl]-2-methylsulfanyl-phenol hydrochloride

Systemtic Name: 4-[1-chloranyl-2-(4-phenylbutan-2-ylamino)ethyl]-2-methylsulfanyl-phenol hydrochloride Openeye Name: 4-[1-chloro-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-2-methylsulfanyl-phenol hydrochloride CAS Name: 4-[1-chloro-2-(4-phenylbutan-2-ylamino)ethyl]-2-(methylthio)phenol hydrochloride IUPAC Name: 4-[1-chloro-2-(4-phenylbutan-2-ylamino)ethyl]-2-methylsulfanylphenol hydrochloride Traditional Name: 4-[1-chloro-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-2-(methylthio)phenol hydrochloride Formula: C19H25Cl2NOS MolecularWeight: 386.3789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClNOS.ClH/c1-14(8-9-15-6-4-3-5-7-15)21-13-17(20)16-10-11-18(22)19(12-16)23-2;/h3-7,10-12,14,17,21-22H,8-9,13H2,1-2H3;1H