N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N

InChI

InChI=1S/C23H25N3O2S/c1-2-14-28-20-7-5-6-17(15-20)21(27)26-22(29)25-19-10-8-18(9-11-19)23(16-24)12-3-4-13-23/h5-11,15H,2-4,12-14H2,1H3,(H2,25,26,27,29)