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

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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