2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-(3-phenylsulfanylpropyl)propanamide hydrochloride

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-(3-phenylsulfanylpropyl)propanamide hydrochloride Openeye Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-(3-phenylsulfanylpropyl)propanamide hydrochloride CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[3-(phenylthio)propyl]propanamide hydrochloride IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(3-phenylsulfanylpropyl)propanamide hydrochloride Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[3-(phenylthio)propyl]propionamide hydrochloride Formula: C20H27ClN2O2S MolecularWeight: 394.95858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NCCCSC2=CC=CC=C2)N)C)O.Cl

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NCCCSC2=CC=CC=C2)N)C)O.Cl

InChI

InChI=1S/C20H26N2O2S.ClH/c1-14-11-16(23)12-15(2)18(14)13-19(21)20(24)22-9-6-10-25-17-7-4-3-5-8-17;/h3-5,7-8,11-12,19,23H,6,9-10,13,21H2,1-2H3,(H,22,24);1H