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

Systemtic Name: N-cyclopropyl-2-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl]thio]cinchoninamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

InChI

InChI=1S/C25H25N3O4S/c1-15(16-6-9-21-22(12-16)32-11-10-31-21)26-23(29)14-33-24-13-19(25(30)27-17-7-8-17)18-4-2-3-5-20(18)28-24/h2-6,9,12-13,15,17H,7-8,10-11,14H2,1H3,(H,26,29)(H,27,30)