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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

InChI

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