methyl N-[(4-ethanoyl-2-nitro-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(4-ethanoyl-2-nitro-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(4-acetyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[(4-acetyl-2-nitroanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(4-acetyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[(4-acetyl-2-nitro-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C11H11N3O5S MolecularWeight: 297.28714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O5S/c1-6(15)7-3-4-8(9(5-7)14(17)18)12-10(20)13-11(16)19-2/h3-5H,1-2H3,(H2,12,13,16,20)