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

Systemtic Name: N-methyl-N-[2-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-4-yl-cyclohexane-1-carbothioamide Openeye Name: N-[2-(isopropylsulfonylamino)ethyl]-N-methyl-1-(4-pyridyl)cyclohexanecarbothioamide CAS Name: N-methyl-N-[2-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-4-yl-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-N-[2-(propan-2-ylsulfonylamino)ethyl]-1-pyridin-4-ylcyclohexane-1-carbothioamide Traditional Name: N-[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)NCCN(C)C(=S)C1(CCCCC1)C2=CC=NC=C2

Isomeric SMILES

CC(C)S(=O)(=O)NCCN(C)C(=S)C1(CCCCC1)C2=CC=NC=C2

InChI

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