2-[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-[bis(2-cyanoethyl)amino]-2-keto-ethyl]thio]cinchoninamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCC(=O)N(CCC#N)CCC#N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCC(=O)N(CCC#N)CCC#N)C(=O)N

InChI

InChI=1S/C18H17N5O2S/c19-7-3-9-23(10-4-8-20)17(24)12-26-16-11-14(18(21)25)13-5-1-2-6-15(13)22-16/h1-2,5-6,11H,3-4,9-10,12H2,(H2,21,25)