4-[2-[(2,4-dimethylphenyl)carbamothioyl]hydrazinyl]benzoate

Systemtic Name: 4-[2-[(2,4-dimethylphenyl)carbamothioyl]hydrazinyl]benzoate Openeye Name: 4-[2-[(2,4-dimethylphenyl)carbamothioyl]hydrazino]benzoate CAS Name: 4-[[(2,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]benzoate IUPAC Name: 4-[2-[(2,4-dimethylphenyl)carbamothioyl]hydrazinyl]benzoate Traditional Name: 4-[N'-[(2,4-dimethylphenyl)thiocarbamoyl]hydrazino]benzoate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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