N-cyclopropyl-2-[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]ylamino)ethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl]thio]cinchoninamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C(=O)NC6CC6

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C(=O)NC6CC6

InChI

InChI=1S/C26H25N3O4S/c30-23(27-17-9-10-21-22(13-17)33-26(32-21)11-3-4-12-26)15-34-24-14-19(25(31)28-16-7-8-16)18-5-1-2-6-20(18)29-24/h1-2,5-6,9-10,13-14,16H,3-4,7-8,11-12,15H2,(H,27,30)(H,28,31)