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

Systemtic Name: N-[4-[3,4-bis(oxidanyl)phenyl]butyl]-4-oxidanylidene-N-phenyl-2,3-dihydrothiochromene-3-carboxamide Openeye Name: N-[4-(3,4-dihydroxyphenyl)butyl]-4-oxo-N-phenyl-thiochromane-3-carboxamide CAS Name: N-[4-(3,4-dihydroxyphenyl)butyl]-4-oxo-N-phenyl-2,3-dihydro-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-(3,4-dihydroxyphenyl)butyl]-4-oxo-N-phenyl-2,3-dihydrothiochromene-3-carboxamide Traditional Name: N-[4-(3,4-dihydroxyphenyl)butyl]-4-keto-N-phenyl-thiochroman-3-carboxamide Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C2S1)C(=O)N(CCCCC3=CC(=C(C=C3)O)O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C2S1)C(=O)N(CCCCC3=CC(=C(C=C3)O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO4S/c28-22-14-13-18(16-23(22)29)8-6-7-15-27(19-9-2-1-3-10-19)26(31)21-17-32-24-12-5-4-11-20(24)25(21)30/h1-5,9-14,16,21,28-29H,6-8,15,17H2