2-chloranyl-4-[(4-ethylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(4-ethylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(4-ethylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(4-ethylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(4-ethylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-2-10-3-5-11(6-4-10)15(21)20-17(24)19-12-7-8-13(16(22)23)14(18)9-12/h3-9H,2H2,1H3,(H,22,23)(H2,19,20,21,24)