(3E)-3-[(4-butoxy-3-methoxy-phenyl)methylidene]-N-phenyl-2-piperidin-1-yl-cyclopentene-1-carbothioamide

Systemtic Name: (3E)-3-[(4-butoxy-3-methoxy-phenyl)methylidene]-N-phenyl-2-piperidin-1-yl-cyclopentene-1-carbothioamide Openeye Name: (3E)-3-[(4-butoxy-3-methoxy-phenyl)methylene]-N-phenyl-2-(1-piperidyl)cyclopentene-1-carbothioamide CAS Name: (3E)-3-[(4-butoxy-3-methoxyphenyl)methylidene]-N-phenyl-2-(1-piperidinyl)-1-cyclopentenecarbothioamide IUPAC Name: (3E)-3-[(4-butoxy-3-methoxyphenyl)methylidene]-N-phenyl-2-piperidin-1-ylcyclopentene-1-carbothioamide Traditional Name: (3E)-3-(4-butoxy-3-methoxy-benzylidene)-N-phenyl-2-piperidino-cyclopentene-1-carbothioamide Formula: C29H36N2O2S MolecularWeight: 476.67334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2CCC(=C2N3CCCCC3)C(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\CCC(=C2N3CCCCC3)C(=S)NC4=CC=CC=C4)OC

InChI

InChI=1S/C29H36N2O2S/c1-3-4-19-33-26-16-13-22(21-27(26)32-2)20-23-14-15-25(28(23)31-17-9-6-10-18-31)29(34)30-24-11-7-5-8-12-24/h5,7-8,11-13,16,20-21H,3-4,6,9-10,14-15,17-19H2,1-2H3,(H,30,34)/b23-20+