3-[(4-ethylphenyl)methylidene]-N-(4-fluorophenyl)-2-piperidin-1-yl-cyclopentene-1-carbothioamide

Systemtic Name: 3-[(4-ethylphenyl)methylidene]-N-(4-fluorophenyl)-2-piperidin-1-yl-cyclopentene-1-carbothioamide Openeye Name: 3-[(4-ethylphenyl)methylene]-N-(4-fluorophenyl)-2-(1-piperidyl)cyclopentene-1-carbothioamide CAS Name: 3-[(4-ethylphenyl)methylidene]-N-(4-fluorophenyl)-2-(1-piperidinyl)-1-cyclopentenecarbothioamide IUPAC Name: 3-[(4-ethylphenyl)methylidene]-N-(4-fluorophenyl)-2-piperidin-1-ylcyclopentene-1-carbothioamide Traditional Name: 3-(4-ethylbenzylidene)-N-(4-fluorophenyl)-2-piperidino-cyclopentene-1-carbothioamide Formula: C26H29FN2S MolecularWeight: 420.585263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2CCC(=C2N3CCCCC3)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)C=C2CCC(=C2N3CCCCC3)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN2S/c1-2-19-6-8-20(9-7-19)18-21-10-15-24(25(21)29-16-4-3-5-17-29)26(30)28-23-13-11-22(27)12-14-23/h6-9,11-14,18H,2-5,10,15-17H2,1H3,(H,28,30)