2-[2-[(phenethylcarbamothioylamino)methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 2-[2-[(phenethylcarbamothioylamino)methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 2-[2-[(phenethylcarbamothioylamino)methyl]phenyl]-N-(2-pyridylmethyl)benzamide CAS Name: 2-[2-[[[(phenethylamino)-sulfanylidenemethyl]amino]methyl]phenyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 2-[2-[(phenethylcarbamothioylamino)methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 2-[2-[(phenethylthiocarbamoylamino)methyl]phenyl]-N-(2-pyridylmethyl)benzamide Formula: C29H28N4OS MolecularWeight: 480.62382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C29H28N4OS/c34-28(32-21-24-13-8-9-18-30-24)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-33-29(35)31-19-17-22-10-2-1-3-11-22/h1-16,18H,17,19-21H2,(H,32,34)(H2,31,33,35)