(2Z)-2-[2,3-bis(oxidanyl)propoxyimino]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: (2Z)-2-[2,3-bis(oxidanyl)propoxyimino]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (2Z)-2-(2,3-dihydroxypropoxyimino)-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (2Z)-2-(2,3-dihydroxypropoxyimino)-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (2Z)-2-(2,3-dihydroxypropoxyimino)-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (2Z)-2-glyceryloximino-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=NOCC(CO)O)C2=CN=CC=C2

Isomeric SMILES

CNC(=S)C\1(CCCC/C1=N/OCC(CO)O)C2=CN=CC=C2

InChI

InChI=1S/C16H23N3O3S/c1-17-15(23)16(12-5-4-8-18-9-12)7-3-2-6-14(16)19-22-11-13(21)10-20/h4-5,8-9,13,20-21H,2-3,6-7,10-11H2,1H3,(H,17,23)/b19-14-