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

Systemtic Name: N-methyl-1-(4-nitroimidazol-1-yl)-2-phenylmethoxy-cyclohexane-1-carbothioamide Openeye Name: 2-benzyloxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarbothioamide CAS Name: N-methyl-1-(4-nitro-1-imidazolyl)-2-phenylmethoxy-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-1-(4-nitroimidazol-1-yl)-2-phenylmethoxycyclohexane-1-carbothioamide Traditional Name: 2-benzoxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarbothioamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)C1(CCCCC1OCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-19-17(26)18(21-11-16(20-13-21)22(23)24)10-6-5-9-15(18)25-12-14-7-3-2-4-8-14/h2-4,7-8,11,13,15H,5-6,9-10,12H2,1H3,(H,19,26)