5-bromanyl-2-chloranyl-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]benzamide Formula: C17H14BrClN4OS MolecularWeight: 437.74126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C17H14BrClN4OS/c18-13-4-5-15(19)14(9-13)16(24)22-17(25)23(8-2-6-20)11-12-3-1-7-21-10-12/h1,3-5,7,9-10H,2,8,11H2,(H,22,24,25)