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

Systemtic Name: N-cyclohexyl-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-cyclohexylacetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-cyclohexyl-acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C22H28N4OS/c27-21(25-20-11-5-2-6-12-20)15-24-22(28)26(16-18-8-3-1-4-9-18)17-19-10-7-13-23-14-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-17H2,(H,24,28)(H,25,27)