N-[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]phenyl]valeramide Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO4S/c1-4-5-6-21(24)22-16-8-10-17(11-9-16)27-14-18(23)15-7-12-19(25-2)20(13-15)26-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)