3-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(2-chloro-4-methyl-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(2-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c1-9-5-6-12(13(17)7-9)14(20)19-16(23)18-11-4-2-3-10(8-11)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)