N-[3-[3,4-bis(oxidanyl)phenyl]propyl]-N-phenyl-3,4-dihydro-2H-thiochromene-3-carboxamide

Systemtic Name: N-[3-[3,4-bis(oxidanyl)phenyl]propyl]-N-phenyl-3,4-dihydro-2H-thiochromene-3-carboxamide Openeye Name: N-[3-(3,4-dihydroxyphenyl)propyl]-N-phenyl-thiochromane-3-carboxamide CAS Name: N-[3-(3,4-dihydroxyphenyl)propyl]-N-phenyl-3,4-dihydro-2H-1-benzothiopyran-3-carboxamide IUPAC Name: N-[3-(3,4-dihydroxyphenyl)propyl]-N-phenyl-3,4-dihydro-2H-thiochromene-3-carboxamide Traditional Name: N-[3-(3,4-dihydroxyphenyl)propyl]-N-phenyl-thiochroman-3-carboxamide Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC2=CC=CC=C21)C(=O)N(CCCC3=CC(=C(C=C3)O)O)C4=CC=CC=C4

Isomeric SMILES

C1C(CSC2=CC=CC=C21)C(=O)N(CCCC3=CC(=C(C=C3)O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO3S/c27-22-13-12-18(15-23(22)28)7-6-14-26(21-9-2-1-3-10-21)25(29)20-16-19-8-4-5-11-24(19)30-17-20/h1-5,8-13,15,20,27-28H,6-7,14,16-17H2