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

Systemtic Name: N-(2,2-dimethoxyethyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-(2,2-dimethoxyethyl)acetamide CAS Name: N-(2,2-dimethoxyethyl)-2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(2,2-dimethoxyethyl)acetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-(2,2-dimethoxyethyl)acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-26-19(27-2)13-22-18(25)12-23-20(28)24(14-16-7-4-3-5-8-16)15-17-9-6-10-21-11-17/h3-11,19H,12-15H2,1-2H3,(H,22,25)(H,23,28)