2-[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 2-[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-[2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide CAS Name: 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]-N-(2-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 2-[2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]-N-(2-methoxyphenyl)cinchoninamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)SC(C4=CC=CC=C4)C(=O)NC5CC5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)SC(C4=CC=CC=C4)C(=O)NC5CC5

InChI

InChI=1S/C28H25N3O3S/c1-34-24-14-8-7-13-23(24)31-27(32)21-17-25(30-22-12-6-5-11-20(21)22)35-26(18-9-3-2-4-10-18)28(33)29-19-15-16-19/h2-14,17,19,26H,15-16H2,1H3,(H,29,33)(H,31,32)