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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]butanamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(3,4-dimethoxyphenyl)-4-oxo-butanamide CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxo-N-[2-(phenylmethylthio)ethyl]butanamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(3,4-dimethoxyphenyl)-4-keto-butyramide Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)NCCSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)NCCSCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO4S/c1-25-19-10-8-17(14-20(19)26-2)18(23)9-11-21(24)22-12-13-27-15-16-6-4-3-5-7-16/h3-8,10,14H,9,11-13,15H2,1-2H3,(H,22,24)