2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C19H20N4O2S/c1-23(10-4-9-20)18(24)12-26-17-11-15(19(25)21-13-7-8-13)14-5-2-3-6-16(14)22-17/h2-3,5-6,11,13H,4,7-8,10,12H2,1H3,(H,21,25)