N-(2-methyl-4-oxidanylidene-pentan-3-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-3-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(1-acetyl-2-methyl-propyl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(2-methyl-4-oxopentan-3-yl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(1-acetyl-2-methyl-propyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)C)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4S/c1-9(2)14(10(3)17)15-13(18)8-21-12-6-4-11(5-7-12)16(19)20/h4-7,9,14H,8H2,1-3H3,(H,15,18)