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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CN=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CN=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H28N4O2S2/c1-2-24-20(28)21(18-8-5-12-22-15-18)11-4-3-7-17(21)10-14-25-29(26,27)19-9-6-13-23-16-19/h5-6,8-9,12-13,15-17,25H,2-4,7,10-11,14H2,1H3,(H,24,28)