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

Systemtic Name: N-[2-(2-chlorophenyl)ethyl]-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-[2-(2-chlorophenyl)ethyl]acetamide CAS Name: N-[2-(2-chlorophenyl)ethyl]-2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-[2-(2-chlorophenyl)ethyl]acetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-[2-(2-chlorophenyl)ethyl]acetamide Formula: C24H25ClN4OS MolecularWeight: 452.9995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)NCCC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)NCCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H25ClN4OS/c25-22-11-5-4-10-21(22)12-14-27-23(30)16-28-24(31)29(17-19-7-2-1-3-8-19)18-20-9-6-13-26-15-20/h1-11,13,15H,12,14,16-18H2,(H,27,30)(H,28,31)