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

Systemtic Name: 4-[[(3-methylphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[(m-tolylcarbamothioylamino)methyl]benzoic acid CAS Name: 4-[[[(3-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-methylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[(m-tolylthiocarbamoylamino)methyl]benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-11-3-2-4-14(9-11)18-16(21)17-10-12-5-7-13(8-6-12)15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21)