N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-homoveratryl-2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H23N3O4S/c1-28-18-9-8-15(12-19(18)29-2)10-11-23-21(27)14-30-22-24-17(13-20(26)25-22)16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)(H,24,25,26)