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

Systemtic Name: 2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-(3-pyridylmethyl)acetamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H23N5OS/c28-21(25-14-19-8-4-10-23-12-19)15-26-22(29)27(16-18-6-2-1-3-7-18)17-20-9-5-11-24-13-20/h1-13H,14-17H2,(H,25,28)(H,26,29)