(1S,2R)-2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: (1S,2R)-2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (1S,2R)-2-[(E)-3-(4-fluorophenyl)allyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (1S,2R)-2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (1S,2R)-2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (1S,2R)-2-[(E)-3-(4-fluorophenyl)allyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C22H25FN2S MolecularWeight: 368.510703

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CC=CC2=CC=C(C=C2)F)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)[C@]1(CCCC[C@@H]1C/C=C/C2=CC=C(C=C2)F)C3=CN=CC=C3

InChI

InChI=1S/C22H25FN2S/c1-24-21(26)22(19-9-5-15-25-16-19)14-3-2-7-18(22)8-4-6-17-10-12-20(23)13-11-17/h4-6,9-13,15-16,18H,2-3,7-8,14H2,1H3,(H,24,26)/b6-4+/t18-,22+/m1/s1