3-(3,4-dimethylphenyl)sulfanyl-N-(1-oxidanylbutan-2-yl)propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(1-oxidanylbutan-2-yl)propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[1-(hydroxymethyl)propyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-(1-hydroxybutan-2-yl)propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-(1-methylolpropyl)propionamide Formula: C15H23NO2S MolecularWeight: 281.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)CCSC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCC(CO)NC(=O)CCSC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C15H23NO2S/c1-4-13(10-17)16-15(18)7-8-19-14-6-5-11(2)12(3)9-14/h5-6,9,13,17H,4,7-8,10H2,1-3H3,(H,16,18)