4,4-dimethyl-N-(4-nitrophenyl)carbothioyl-3-oxidanylidene-pentanamide

Systemtic Name: 4,4-dimethyl-N-(4-nitrophenyl)carbothioyl-3-oxidanylidene-pentanamide Openeye Name: 4,4-dimethyl-N-(4-nitrobenzenecarbothioyl)-3-oxo-pentanamide CAS Name: 4,4-dimethyl-N-[(4-nitrophenyl)-sulfanylidenemethyl]-3-oxopentanamide IUPAC Name: 4,4-dimethyl-N-(4-nitrobenzenecarbothioyl)-3-oxopentanamide Traditional Name: 3-keto-4,4-dimethyl-N-(4-nitrothiobenzoyl)valeramide Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-14(2,3)11(17)8-12(18)15-13(21)9-4-6-10(7-5-9)16(19)20/h4-7H,8H2,1-3H3,(H,15,18,21)