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

Systemtic Name: 4-chloranyl-3-(2-phenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 4-chloro-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c17-12-7-6-11(15(21)22)9-13(12)18-16(23)19-14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,21,22)(H2,18,19,20,23)