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

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-chloro-4-methylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O2S/c1-9-4-6-12(8-13(9)17)18-16(22)19-14-7-11(15(20)21)5-3-10(14)2/h3-8H,1-2H3,(H,20,21)(H2,18,19,22)