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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1(C2=CN=CC=C2)C(=S)NC)NS(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C1CCCCC1(C2=CN=CC=C2)C(=S)NC)NS(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H26N4O2S2/c1-15(24-28(25,26)17-8-6-12-23-14-17)18-9-3-4-10-20(18,19(27)21-2)16-7-5-11-22-13-16/h5-8,11-15,18,24H,3-4,9-10H2,1-2H3,(H,21,27)