[(1-pyridin-3-ylcyclohexyl)carbothioylamino] 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoate

Systemtic Name: [(1-pyridin-3-ylcyclohexyl)carbothioylamino] 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoate Openeye Name: [[1-(3-pyridyl)cyclohexanecarbothioyl]amino] 2-(2-methyl-5-nitro-imidazol-1-yl)acetate CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)acetic acid [[[1-(3-pyridinyl)cyclohexyl]-sulfanylidenemethyl]amino] ester IUPAC Name: [(1-pyridin-3-ylcyclohexanecarbothioyl)amino] 2-(2-methyl-5-nitroimidazol-1-yl)acetate Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)acetic acid [[1-(3-pyridyl)cyclohexanecarbothioyl]amino] ester Formula: C18H21N5O4S MolecularWeight: 403.45544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)ONC(=S)C2(CCCCC2)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)ONC(=S)C2(CCCCC2)C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c1-13-20-11-15(23(25)26)22(13)12-16(24)27-21-17(28)18(7-3-2-4-8-18)14-6-5-9-19-10-14/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,28)