4-[[(3,5-dimethylphenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3,5-dimethylphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(3,5-dimethylphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,5-dimethylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(3,5-dimethylphenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-11-7-12(2)9-15(8-11)19-17(22)18-10-13-3-5-14(6-4-13)16(20)21/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,22)