1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-sulfanyl-3-(2-thiomorpholin-4-ylethylidene)piperidin-1-yl]ethanone

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-sulfanyl-3-(2-thiomorpholin-4-ylethylidene)piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-sulfanyl-3-(2-thiomorpholinoethylidene)-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(2-thiomorpholin-4-ylethylidene)-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-sulfanyl-3-(2-thiomorpholin-4-ylethylidene)piperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(2-thiomorpholinoethylidene)piperidino]ethanone Formula: C22H29FN2OS2 MolecularWeight: 420.606863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CCN4CCSCC4)C3)S

Isomeric SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/CN4CCSCC4)/C3)S

InChI

InChI=1S/C22H29FN2OS2/c23-19-4-2-1-3-18(19)21(22(26)16-5-6-16)25-10-8-20(27)17(15-25)7-9-24-11-13-28-14-12-24/h1-4,7,16,20-21,27H,5-6,8-15H2/b17-7+