4-chloranyl-3-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(3-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H12Cl2N2O3S MolecularWeight: 383.24908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O3S/c1-8-2-3-9(6-12(8)18)14(21)20-16(24)19-13-7-10(15(22)23)4-5-11(13)17/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)