(3-methyl-4-nitro-phenyl) N-(2,4-dimethyl-3-oxidanylidene-pentyl)sulfanyl-N-methyl-carbamate

Systemtic Name: (3-methyl-4-nitro-phenyl) N-(2,4-dimethyl-3-oxidanylidene-pentyl)sulfanyl-N-methyl-carbamate Openeye Name: (3-methyl-4-nitro-phenyl) N-(2,4-dimethyl-3-oxo-pentyl)sulfanyl-N-methyl-carbamate CAS Name: N-[(2,4-dimethyl-3-oxopentyl)thio]-N-methylcarbamic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) N-(2,4-dimethyl-3-oxopentyl)sulfanyl-N-methylcarbamate Traditional Name: N-[(3-keto-2,4-dimethyl-pentyl)thio]-N-methyl-carbamic acid (3-methyl-4-nitro-phenyl) ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)N(C)SCC(C)C(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)N(C)SCC(C)C(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O5S/c1-10(2)15(19)12(4)9-24-17(5)16(20)23-13-6-7-14(18(21)22)11(3)8-13/h6-8,10,12H,9H2,1-5H3