3-butoxy-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-butoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-butoxy-benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O2S/c1-2-3-15-27-20-12-7-11-19(16-20)21(26)24-22(28)25(14-8-13-23)17-18-9-5-4-6-10-18/h4-7,9-12,16H,2-3,8,14-15,17H2,1H3,(H,24,26,28)