3-[(3,4-dichlorophenyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(3,4-dichlorophenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3,4-dichlorophenyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3,4-dichlorophenyl)thiocarbamoylamino]benzoic acid Formula: C14H10Cl2N2O2S MolecularWeight: 341.2124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10Cl2N2O2S/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)