3-[(4-chlorophenyl)methylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(4-chlorophenyl)methylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-chlorophenyl)methylcarbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-chlorophenyl)methylcarbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-chlorobenzyl)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)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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