N-[3,4-bis(oxidanyl)phenyl]carbonyl-2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxamide

Systemtic Name: N-[3,4-bis(oxidanyl)phenyl]carbonyl-2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxamide Openeye Name: N-(3,4-dihydroxybenzoyl)-2-(sulfanylmethyl)tetralin-2-carboxamide CAS Name: N-[(3,4-dihydroxyphenyl)-oxomethyl]-2-(mercaptomethyl)-3,4-dihydro-1H-naphthalene-2-carboxamide IUPAC Name: N-(3,4-dihydroxybenzoyl)-2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxamide Traditional Name: 2-(mercaptomethyl)-N-protocatechuoyl-tetralin-2-carboxamide Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2=CC=CC=C21)(CS)C(=O)NC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1CC(CC2=CC=CC=C21)(CS)C(=O)NC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H19NO4S/c21-15-6-5-13(9-16(15)22)17(23)20-18(24)19(11-25)8-7-12-3-1-2-4-14(12)10-19/h1-6,9,21-22,25H,7-8,10-11H2,(H,20,23,24)