3-methyl-N-[[(4-nitrophenyl)amino]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[(4-nitrophenyl)amino]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[(4-nitroanilino)carbamothioyl]butanamide CAS Name: 3-methyl-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(4-nitroanilino)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(4-nitroanilino)thiocarbamoyl]butyramide Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-8(2)7-11(17)13-12(20)15-14-9-3-5-10(6-4-9)16(18)19/h3-6,8,14H,7H2,1-2H3,(H2,13,15,17,20)