N-(2-methoxyphenyl)-2-[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-2-[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2-methoxyphenyl)-2-[2-oxo-2-[4-(propanoylamino)phenyl]ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-(2-methoxyphenyl)-2-[[2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-2-[2-oxo-2-[4-(propanoylamino)phenyl]ethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-keto-2-(4-propionamidophenyl)ethyl]thio]-N-(2-methoxyphenyl)cinchoninamide Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C28H25N3O4S/c1-3-26(33)29-19-14-12-18(13-15-19)24(32)17-36-27-16-21(20-8-4-5-9-22(20)30-27)28(34)31-23-10-6-7-11-25(23)35-2/h4-16H,3,17H2,1-2H3,(H,29,33)(H,31,34)