N-phenethyl-2-[[(phenylmethyl)-(pyridin-1-ium-3-ylmethyl)carbamothioyl]amino]ethanamide

Systemtic Name: N-phenethyl-2-[[(phenylmethyl)-(pyridin-1-ium-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(pyridin-1-ium-3-ylmethyl)carbamothioyl]amino]-N-phenethyl-acetamide CAS Name: N-phenethyl-2-[[[(phenylmethyl)-(3-pyridin-1-iumylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-1-ium-3-ylmethyl)carbamothioyl]amino]-N-phenethylacetamide Traditional Name: 2-[[benzyl(pyridin-1-ium-3-ylmethyl)thiocarbamoyl]amino]-N-phenethyl-acetamide Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=C[NH+]=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C24H26N4OS/c29-23(26-15-13-20-8-3-1-4-9-20)17-27-24(30)28(18-21-10-5-2-6-11-21)19-22-12-7-14-25-16-22/h1-12,14,16H,13,15,17-19H2,(H,26,29)(H,27,30)/p+1