N-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl]thio]cinchoninamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H29N3O2S/c1-3-17-8-6-7-13-26(17)23(28)15(2)29-21-14-19(22(27)24-16-11-12-16)18-9-4-5-10-20(18)25-21/h4-5,9-10,14-17H,3,6-8,11-13H2,1-2H3,(H,24,27)