4-heptyl-N-(pyridin-2-ylcarbamothioyl)benzamide

Systemtic Name: 4-heptyl-N-(pyridin-2-ylcarbamothioyl)benzamide Openeye Name: 4-heptyl-N-(2-pyridylcarbamothioyl)benzamide CAS Name: 4-heptyl-N-[(2-pyridinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptyl-N-(pyridin-2-ylcarbamothioyl)benzamide Traditional Name: 4-heptyl-N-(2-pyridylthiocarbamoyl)benzamide Formula: C20H25N3OS MolecularWeight: 355.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2

InChI

InChI=1S/C20H25N3OS/c1-2-3-4-5-6-9-16-11-13-17(14-12-16)19(24)23-20(25)22-18-10-7-8-15-21-18/h7-8,10-15H,2-6,9H2,1H3,(H2,21,22,23,24,25)