2-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]thio]cinchoninamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C20H22N4O2S/c21-13-20(9-5-1-2-6-10-20)24-17(25)12-27-18-11-15(19(22)26)14-7-3-4-8-16(14)23-18/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H2,22,26)(H,24,25)