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

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[3-(phenylmethylsulfanyl)propyl]propanamide Openeye Name: 2-amino-N-(3-benzylsulfanylpropyl)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[3-(phenylmethylthio)propyl]propanamide IUPAC Name: 2-amino-N-(3-benzylsulfanylpropyl)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide Traditional Name: 2-amino-N-[3-(benzylthio)propyl]-3-(4-hydroxy-2,6-dimethyl-phenyl)propionamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NCCCSCC2=CC=CC=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NCCCSCC2=CC=CC=C2)N)C)O

InChI

InChI=1S/C21H28N2O2S/c1-15-11-18(24)12-16(2)19(15)13-20(22)21(25)23-9-6-10-26-14-17-7-4-3-5-8-17/h3-5,7-8,11-12,20,24H,6,9-10,13-14,22H2,1-2H3,(H,23,25)