N-(cyanomethyl)-N'-(phenylmethyl)-2-(2-phenylsulfanylethyl)propanediamide

Systemtic Name: N-(cyanomethyl)-N'-(phenylmethyl)-2-(2-phenylsulfanylethyl)propanediamide Openeye Name: N-benzyl-N'-(cyanomethyl)-2-(2-phenylsulfanylethyl)propanediamide CAS Name: N-(cyanomethyl)-N'-(phenylmethyl)-2-[2-(phenylthio)ethyl]propanediamide IUPAC Name: N-benzyl-N'-(cyanomethyl)-2-(2-phenylsulfanylethyl)propanediamide Traditional Name: N-benzyl-N'-(cyanomethyl)-2-[2-(phenylthio)ethyl]malonamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CCSC2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CCSC2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C20H21N3O2S/c21-12-13-22-19(24)18(11-14-26-17-9-5-2-6-10-17)20(25)23-15-16-7-3-1-4-8-16/h1-10,18H,11,13-15H2,(H,22,24)(H,23,25)