4-methoxy-3-(2-phenylethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methoxy-3-(2-phenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methoxy-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O4S/c1-23-14-8-7-12(16(21)22)10-13(14)18-17(24)19-15(20)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,21,22)(H2,18,19,20,24)