N-cyclopropyl-2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl]thio]cinchoninamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C27H27N3O4S/c31-26(30-11-3-6-22(30)17-7-10-23-24(14-17)34-13-12-33-23)16-35-25-15-20(27(32)28-18-8-9-18)19-4-1-2-5-21(19)29-25/h1-2,4-5,7,10,14-15,18,22H,3,6,8-9,11-13,16H2,(H,28,32)