3-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-chloro-2-methyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-chloro-2-methylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-chloro-2-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=C(C=CC(=C2)Cl)C

Isomeric SMILES

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

InChI

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