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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4OS/c1-19(22-12-6-3-7-13-22)27-23(29)16-26-24(30)28(17-20-9-4-2-5-10-20)18-21-11-8-14-25-15-21/h2-15,19H,16-18H2,1H3,(H,26,30)(H,27,29)/p+1