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

Systemtic Name: 4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-nitro-benzoic acid Openeye Name: 4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazino]-3-nitro-benzoic acid CAS Name: 4-[[(3,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]-3-nitrobenzoic acid IUPAC Name: 4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-nitrobenzoic acid Traditional Name: 4-[N'-[(3,4-dimethylphenyl)thiocarbamoyl]hydrazino]-3-nitro-benzoic acid Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S/c1-9-3-5-12(7-10(9)2)17-16(25)19-18-13-6-4-11(15(21)22)8-14(13)20(23)24/h3-8,18H,1-2H3,(H,21,22)(H2,17,19,25)