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

Systemtic Name: N-[4-[[3,4-bis(oxidanyl)phenyl]methyl]phenyl]-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide Openeye Name: N-[4-[(3,4-dihydroxyphenyl)methyl]phenyl]-4-oxo-thiochromane-3-carboxamide CAS Name: N-[4-[(3,4-dihydroxyphenyl)methyl]phenyl]-4-oxo-2,3-dihydro-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[(3,4-dihydroxyphenyl)methyl]phenyl]-4-oxo-2,3-dihydrothiochromene-3-carboxamide Traditional Name: 4-keto-N-(4-protocatechuylphenyl)thiochroman-3-carboxamide Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C2S1)C(=O)NC3=CC=C(C=C3)CC4=CC(=C(C=C4)O)O

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C2S1)C(=O)NC3=CC=C(C=C3)CC4=CC(=C(C=C4)O)O

InChI

InChI=1S/C23H19NO4S/c25-19-10-7-15(12-20(19)26)11-14-5-8-16(9-6-14)24-23(28)18-13-29-21-4-2-1-3-17(21)22(18)27/h1-10,12,18,25-26H,11,13H2,(H,24,28)