(2Z)-N-methyl-1-(4-nitroimidazol-1-yl)-2-phenylmethoxyimino-cyclohexane-1-carbothioamide

Systemtic Name: (2Z)-N-methyl-1-(4-nitroimidazol-1-yl)-2-phenylmethoxyimino-cyclohexane-1-carbothioamide Openeye Name: (2Z)-2-benzyloxyimino-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarbothioamide CAS Name: (2Z)-N-methyl-1-(4-nitro-1-imidazolyl)-2-phenylmethoxyimino-1-cyclohexanecarbothioamide IUPAC Name: (2Z)-N-methyl-1-(4-nitroimidazol-1-yl)-2-phenylmethoxyiminocyclohexane-1-carbothioamide Traditional Name: (2Z)-2-benzyloximino-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarbothioamide Formula: C18H21N5O3S MolecularWeight: 387.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=NOCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)C\1(CCCC/C1=N/OCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3S/c1-19-17(27)18(22-11-16(20-13-22)23(24)25)10-6-5-9-15(18)21-26-12-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,19,27)/b21-15-