3-(3,4-dimethylphenyl)sulfanyl-N-(2-oxidanylpropyl)propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(2-oxidanylpropyl)propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxypropyl)propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-(2-hydroxypropyl)propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxypropyl)propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-(2-hydroxypropyl)propionamide Formula: C14H21NO2S MolecularWeight: 267.38704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC(C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC(C)O)C

InChI

InChI=1S/C14H21NO2S/c1-10-4-5-13(8-11(10)2)18-7-6-14(17)15-9-12(3)16/h4-5,8,12,16H,6-7,9H2,1-3H3,(H,15,17)