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

Systemtic Name: 4-[[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(5-chloro-2-methyl-phenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(5-chloro-2-methylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H15ClN2O2S/c1-10-2-7-13(17)8-14(10)19-16(22)18-9-11-3-5-12(6-4-11)15(20)21/h2-8H,9H2,1H3,(H,20,21)(H2,18,19,22)