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

Systemtic Name: 2-[4-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(5-chloro-2-methyl-phenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-chloro-2-methylphenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]phenyl]acetic 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)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

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

InChI

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