N-methyl-1-(3-nitrophenyl)-2-oxidanylidene-cyclohexane-1-carbothioamide

Systemtic Name: N-methyl-1-(3-nitrophenyl)-2-oxidanylidene-cyclohexane-1-carbothioamide Openeye Name: N-methyl-1-(3-nitrophenyl)-2-oxo-cyclohexanecarbothioamide CAS Name: N-methyl-1-(3-nitrophenyl)-2-oxo-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-1-(3-nitrophenyl)-2-oxocyclohexane-1-carbothioamide Traditional Name: 2-keto-N-methyl-1-(3-nitrophenyl)cyclohexanecarbothioamide Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)C1(CCCCC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O3S/c1-15-13(20)14(8-3-2-7-12(14)17)10-5-4-6-11(9-10)16(18)19/h4-6,9H,2-3,7-8H2,1H3,(H,15,20)