3-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-(m-anisoylthiocarbamoylamino)benzoic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

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