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

Systemtic Name: N-(2-dimethylaminoethyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-(2-dimethylaminoethyl)acetamide CAS Name: N-(2-dimethylaminoethyl)-2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(2-dimethylaminoethyl)acetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-(2-dimethylaminoethyl)acetamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2

Isomeric SMILES

CN(C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2

InChI

InChI=1S/C20H27N5OS/c1-24(2)12-11-22-19(26)14-23-20(27)25(15-17-7-4-3-5-8-17)16-18-9-6-10-21-13-18/h3-10,13H,11-12,14-16H2,1-2H3,(H,22,26)(H,23,27)