N-ethyl-2-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: N-ethyl-2-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: N-ethyl-2-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: N-ethyl-2-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: N-ethyl-2-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: N-ethyl-2-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C22H28FN3O2S2 MolecularWeight: 449.605023

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3

Isomeric SMILES

CCNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3

InChI

InChI=1S/C22H28FN3O2S2/c1-2-25-21(29)22(18-7-5-14-24-16-18)13-4-3-6-17(22)12-15-26-30(27,28)20-10-8-19(23)9-11-20/h5,7-11,14,16-17,26H,2-4,6,12-13,15H2,1H3,(H,25,29)