2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[4-(phenylmethylsulfanyl)butyl]propanamide hydrochloride

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[4-(phenylmethylsulfanyl)butyl]propanamide hydrochloride Openeye Name: 2-amino-N-(4-benzylsulfanylbutyl)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanamide hydrochloride CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[4-(phenylmethylthio)butyl]propanamide hydrochloride IUPAC Name: 2-amino-N-(4-benzylsulfanylbutyl)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide hydrochloride Traditional Name: 2-amino-N-[4-(benzylthio)butyl]-3-(4-hydroxy-2,6-dimethyl-phenyl)propionamide hydrochloride Formula: C22H31ClN2O2S MolecularWeight: 423.01174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NCCCCSCC2=CC=CC=C2)N)C)O.Cl

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NCCCCSCC2=CC=CC=C2)N)C)O.Cl

InChI

InChI=1S/C22H30N2O2S.ClH/c1-16-12-19(25)13-17(2)20(16)14-21(23)22(26)24-10-6-7-11-27-15-18-8-4-3-5-9-18;/h3-5,8-9,12-13,21,25H,6-7,10-11,14-15,23H2,1-2H3,(H,24,26);1H