N-cyclopropyl-2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5)OCO2

InChI

InChI=1S/C24H21N3O5S/c1-13(28)16-8-20-21(32-12-31-20)10-19(16)26-22(29)11-33-23-9-17(24(30)25-14-6-7-14)15-4-2-3-5-18(15)27-23/h2-5,8-10,14H,6-7,11-12H2,1H3,(H,25,30)(H,26,29)