N-[4-[(3,4-dimethoxyphenyl)methyl]phenyl]-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide

Systemtic Name: N-[4-[(3,4-dimethoxyphenyl)methyl]phenyl]-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide Openeye Name: N-[4-[(3,4-dimethoxyphenyl)methyl]phenyl]-4-oxo-thiochromane-3-carboxamide CAS Name: N-[4-[(3,4-dimethoxyphenyl)methyl]phenyl]-4-oxo-2,3-dihydro-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[(3,4-dimethoxyphenyl)methyl]phenyl]-4-oxo-2,3-dihydrothiochromene-3-carboxamide Traditional Name: 4-keto-N-(4-veratrylphenyl)thiochroman-3-carboxamide Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CC=C(C=C2)NC(=O)C3CSC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CC=C(C=C2)NC(=O)C3CSC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C25H23NO4S/c1-29-21-12-9-17(14-22(21)30-2)13-16-7-10-18(11-8-16)26-25(28)20-15-31-23-6-4-3-5-19(23)24(20)27/h3-12,14,20H,13,15H2,1-2H3,(H,26,28)