4-[(3-methylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(3-methylphenyl)carbamothioylamino]benzoic acid Openeye Name: 4-(m-tolylcarbamothioylamino)benzoic acid CAS Name: 4-[[(3-methylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-methylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-(m-tolylthiocarbamoylamino)benzoic acid Formula: C15H14N2O2S MolecularWeight: 286.34886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2S/c1-10-3-2-4-13(9-10)17-15(20)16-12-7-5-11(6-8-12)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)