N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=S)NC(=O)C3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=S)NC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c26-18-24(14-4-5-15-24)19-10-12-21(13-11-19)27-23(30)28-22(29)25(16-6-7-17-25)20-8-2-1-3-9-20/h1-3,8-13H,4-7,14-17H2,(H2,27,28,29,30)