N-ethyl-1-pyridin-3-yl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide

Systemtic Name: N-ethyl-1-pyridin-3-yl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide Openeye Name: N-ethyl-1-(3-pyridyl)-N-[2-(3-pyridylsulfonylamino)ethyl]cyclohexanecarbothioamide CAS Name: N-ethyl-1-(3-pyridinyl)-N-[2-(3-pyridinylsulfonylamino)ethyl]-1-cyclohexanecarbothioamide IUPAC Name: N-ethyl-1-pyridin-3-yl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide Traditional Name: N-ethyl-1-(3-pyridyl)-N-[2-(3-pyridylsulfonylamino)ethyl]cyclohexanecarbothioamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNS(=O)(=O)C1=CN=CC=C1)C(=S)C2(CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CCN(CCNS(=O)(=O)C1=CN=CC=C1)C(=S)C2(CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C21H28N4O2S2/c1-2-25(15-14-24-29(26,27)19-9-7-13-23-17-19)20(28)21(10-4-3-5-11-21)18-8-6-12-22-16-18/h6-9,12-13,16-17,24H,2-5,10-11,14-15H2,1H3