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

Systemtic Name: 3-[(4-bromophenyl)methylidene]-N-phenyl-2-piperidin-1-yl-cyclopentene-1-carbothioamide Openeye Name: 3-[(4-bromophenyl)methylene]-N-phenyl-2-(1-piperidyl)cyclopentene-1-carbothioamide CAS Name: 3-[(4-bromophenyl)methylidene]-N-phenyl-2-(1-piperidinyl)-1-cyclopentenecarbothioamide IUPAC Name: 3-[(4-bromophenyl)methylidene]-N-phenyl-2-piperidin-1-ylcyclopentene-1-carbothioamide Traditional Name: 3-(4-bromobenzylidene)-N-phenyl-2-piperidino-cyclopentene-1-carbothioamide Formula: C24H25BrN2S MolecularWeight: 453.4377

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(CCC2=CC3=CC=C(C=C3)Br)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(CCC2=CC3=CC=C(C=C3)Br)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C24H25BrN2S/c25-20-12-9-18(10-13-20)17-19-11-14-22(23(19)27-15-5-2-6-16-27)24(28)26-21-7-3-1-4-8-21/h1,3-4,7-10,12-13,17H,2,5-6,11,14-16H2,(H,26,28)