3,5-dimethyl-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide Openeye Name: 3,5-dimethyl-N-[(4-nitroanilino)carbamothioyl]benzamide CAS Name: 3,5-dimethyl-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[(4-nitroanilino)carbamothioyl]benzamide Traditional Name: 3,5-dimethyl-N-[(4-nitroanilino)thiocarbamoyl]benzamide Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-10-7-11(2)9-12(8-10)15(21)17-16(24)19-18-13-3-5-14(6-4-13)20(22)23/h3-9,18H,1-2H3,(H2,17,19,21,24)