N-[(2-cyano-4-nitro-phenyl)carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[(2-cyano-4-nitro-phenyl)carbamothioyl]-2-methyl-propanamide Openeye Name: N-[(2-cyano-4-nitro-phenyl)carbamothioyl]-2-methyl-propanamide CAS Name: N-[(2-cyano-4-nitroanilino)-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[(2-cyano-4-nitrophenyl)carbamothioyl]-2-methylpropanamide Traditional Name: N-[(2-cyano-4-nitro-phenyl)thiocarbamoyl]-2-methyl-propionamide Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H12N4O3S/c1-7(2)11(17)15-12(20)14-10-4-3-9(16(18)19)5-8(10)6-13/h3-5,7H,1-2H3,(H2,14,15,17,20)