N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N)C

InChI

InChI=1S/C22H23N3OS/c1-15-11-16(2)13-17(12-15)20(26)25-21(27)24-19-7-5-18(6-8-19)22(14-23)9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H2,24,25,26,27)