2-[(7-acetamido-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[(7-acetamido-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(7-acetamido-2-oxo-chromen-4-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[(7-acetamido-2-oxo-1-benzopyran-4-yl)methylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(7-acetamido-2-oxochromen-4-yl)methylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[(7-acetamido-2-keto-chromen-4-yl)methylthio]-N-cyclopropyl-cinchoninamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

InChI

InChI=1S/C25H21N3O4S/c1-14(29)26-17-8-9-18-15(10-24(30)32-22(18)11-17)13-33-23-12-20(25(31)27-16-6-7-16)19-4-2-3-5-21(19)28-23/h2-5,8-12,16H,6-7,13H2,1H3,(H,26,29)(H,27,31)