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

Systemtic Name: N-[2-(butylsulfonylamino)ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: N-[2-(butylsulfonylamino)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: N-[2-(butylsulfonylamino)ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: N-[2-(butylsulfonylamino)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: N-[2-(butylsulfonylamino)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C19H31N3O2S2 MolecularWeight: 397.59834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCCN(C)C(=S)C1(CCCCC1)C2=CN=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)NCCN(C)C(=S)C1(CCCCC1)C2=CN=CC=C2

InChI

InChI=1S/C19H31N3O2S2/c1-3-4-15-26(23,24)21-13-14-22(2)18(25)19(10-6-5-7-11-19)17-9-8-12-20-16-17/h8-9,12,16,21H,3-7,10-11,13-15H2,1-2H3