4-[(3-chlorophenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(3-chlorophenyl)carbamothioylamino]benzoic acid Openeye Name: 4-[(3-chlorophenyl)carbamothioylamino]benzoic acid CAS Name: 4-[[(3-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-chlorophenyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-chlorophenyl)thiocarbamoylamino]benzoic acid Formula: C14H11ClN2O2S MolecularWeight: 306.76734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O2S/c15-10-2-1-3-12(8-10)17-14(20)16-11-6-4-9(5-7-11)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)