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

Systemtic Name: N-methyl-1-pyridin-3-yl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide Openeye Name: N-methyl-1-(3-pyridyl)-2-[2-(3-pyridylsulfonylamino)ethyl]cyclohexanecarbothioamide CAS Name: N-methyl-1-(3-pyridinyl)-2-[2-(3-pyridinylsulfonylamino)ethyl]-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-1-pyridin-3-yl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide Traditional Name: N-methyl-1-(3-pyridyl)-2-[2-(3-pyridylsulfonylamino)ethyl]cyclohexanecarbothioamide Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S2/c1-21-19(27)20(17-7-4-11-22-14-17)10-3-2-6-16(20)9-13-24-28(25,26)18-8-5-12-23-15-18/h4-5,7-8,11-12,14-16,24H,2-3,6,9-10,13H2,1H3,(H,21,27)