N-(3-methoxypropyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide CAS Name: N-(3-methoxypropyl)-2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-(3-methoxypropyl)acetamide Formula: C20H26N4O2S MolecularWeight: 386.51104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2

Isomeric SMILES

COCCCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2

InChI

InChI=1S/C20H26N4O2S/c1-26-12-6-11-22-19(25)14-23-20(27)24(15-17-7-3-2-4-8-17)16-18-9-5-10-21-13-18/h2-5,7-10,13H,6,11-12,14-16H2,1H3,(H,22,25)(H,23,27)