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

Systemtic Name: N-methyl-2-[1-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[1-(isopropylsulfonylamino)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: N-methyl-2-[1-(propan-2-ylsulfonylamino)ethyl]-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-2-[1-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[1-(isopropylsulfonylamino)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C18H29N3O2S2 MolecularWeight: 383.57176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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