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

Systemtic Name: 2-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: 2-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC=CC=C2F)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC=CC=C2F)C3=CN=CC=C3

InChI

InChI=1S/C21H26FN3O2S2/c1-23-20(28)21(17-8-6-13-24-15-17)12-5-4-7-16(21)11-14-25-29(26,27)19-10-3-2-9-18(19)22/h2-3,6,8-10,13,15-16,25H,4-5,7,11-12,14H2,1H3,(H,23,28)