4-methoxy-3-(phenylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methoxy-3-(phenylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 3-(benzoylcarbamothioylamino)-4-methoxy-benzoic acid CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-(benzoylcarbamothioylamino)-4-methoxybenzoic acid Traditional Name: 3-(benzoylthiocarbamoylamino)-4-methoxy-benzoic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O4S/c1-22-13-8-7-11(15(20)21)9-12(13)17-16(23)18-14(19)10-5-3-2-4-6-10/h2-9H,1H3,(H,20,21)(H2,17,18,19,23)