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

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(2-piperazin-1-ylethylidene)-4-sulfanyl-piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(2-piperazin-1-ylethylidene)-4-sulfanyl-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-[2-(1-piperazinyl)ethylidene]-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(2-piperazin-1-ylethylidene)-4-sulfanylpiperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(2-piperazinoethylidene)piperidino]ethanone Formula: C22H30FN3OS MolecularWeight: 403.556503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CCN4CCNCC4)C3)S

Isomeric SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/CN4CCNCC4)/C3)S

InChI

InChI=1S/C22H30FN3OS/c23-19-4-2-1-3-18(19)21(22(27)16-5-6-16)26-12-8-20(28)17(15-26)7-11-25-13-9-24-10-14-25/h1-4,7,16,20-21,24,28H,5-6,8-15H2/b17-7+