2-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(4-carbamoylpiperidino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C21H24N4O3S/c22-20(27)13-7-9-25(10-8-13)19(26)12-29-18-11-16(21(28)23-14-5-6-14)15-3-1-2-4-17(15)24-18/h1-4,11,13-14H,5-10,12H2,(H2,22,27)(H,23,28)