4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazino]benzoic acid CAS Name: 4-[[(3,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[(3,4-dimethylphenyl)thiocarbamoyl]hydrazino]benzoic acid Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C16H17N3O2S/c1-10-3-6-14(9-11(10)2)17-16(22)19-18-13-7-4-12(5-8-13)15(20)21/h3-9,18H,1-2H3,(H,20,21)(H2,17,19,22)