3-[(2,3-dimethylphenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2,3-dimethylphenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2,3-dimethylphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2,3-dimethylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2,3-dimethylphenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-10-5-4-6-14(12(10)3)18-17(22)19-15-9-13(16(20)21)8-7-11(15)2/h4-9H,1-3H3,(H,20,21)(H2,18,19,22)