N-methyl-2-[2-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-4-yl-cyclohexane-1-carbothioamide

Systemtic Name: N-methyl-2-[2-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-4-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[2-(isopropylsulfonylamino)ethyl]-N-methyl-1-(4-pyridyl)cyclohexanecarbothioamide CAS Name: N-methyl-2-[2-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-4-yl-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-2-[2-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-4-ylcyclohexane-1-carbothioamide Traditional Name: 2-[2-(isopropylsulfonylamino)ethyl]-N-methyl-1-(4-pyridyl)cyclohexanecarbothioamide Formula: C18H29N3O2S2 MolecularWeight: 383.57176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCCC1CCCCC1(C2=CC=NC=C2)C(=S)NC

Isomeric SMILES

CC(C)S(=O)(=O)NCCC1CCCCC1(C2=CC=NC=C2)C(=S)NC

InChI

InChI=1S/C18H29N3O2S2/c1-14(2)25(22,23)21-13-9-15-6-4-5-10-18(15,17(24)19-3)16-7-11-20-12-8-16/h7-8,11-12,14-15,21H,4-6,9-10,13H2,1-3H3,(H,19,24)