N-cyclopropyl-2-[3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[3-(2-furylmethoxy)-2-hydroxy-propyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[3-(2-furanylmethoxy)-2-hydroxypropyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[3-(2-furfuryloxy)-2-hydroxy-propyl]thio]cinchoninamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(COCC4=CC=CO4)O

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(COCC4=CC=CO4)O

InChI

InChI=1S/C21H22N2O4S/c24-15(11-26-12-16-4-3-9-27-16)13-28-20-10-18(21(25)22-14-7-8-14)17-5-1-2-6-19(17)23-20/h1-6,9-10,14-15,24H,7-8,11-13H2,(H,22,25)