4-(3,4-dimethylphenyl)-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]butanamide

Systemtic Name: 4-(3,4-dimethylphenyl)-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]butanamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(3,4-dimethylphenyl)-4-oxo-butanamide CAS Name: 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(phenylmethylthio)ethyl]butanamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(3,4-dimethylphenyl)-4-keto-butyramide Formula: C21H25NO2S MolecularWeight: 355.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO2S/c1-16-8-9-19(14-17(16)2)20(23)10-11-21(24)22-12-13-25-15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,24)