2-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-[N-(cyanomethyl)anilino]-2-keto-ethyl]thio]cinchoninamide Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C20H16N4O2S/c21-10-11-24(14-6-2-1-3-7-14)19(25)13-27-18-12-16(20(22)26)15-8-4-5-9-17(15)23-18/h1-9,12H,11,13H2,(H2,22,26)