N-(2-morpholin-4-ylethyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-(2-morpholinoethyl)acetamide CAS Name: N-[2-(4-morpholinyl)ethyl]-2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-(2-morpholinoethyl)acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

C1COCCN1CCNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C22H29N5O2S/c28-21(24-9-10-26-11-13-29-14-12-26)16-25-22(30)27(17-19-5-2-1-3-6-19)18-20-7-4-8-23-15-20/h1-8,15H,9-14,16-18H2,(H,24,28)(H,25,30)