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

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H21N3OS/c22-15-12-16-8-10-18(11-9-16)23-20(26)24-19(25)21(13-4-5-14-21)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2,(H2,23,24,25,26)