N-cyclopropyl-2-[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-[3-(N-methylanilino)propylamino]ethyl]thio]cinchoninamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

CN(CCCNC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-29(19-8-3-2-4-9-19)15-7-14-26-23(30)17-32-24-16-21(25(31)27-18-12-13-18)20-10-5-6-11-22(20)28-24/h2-6,8-11,16,18H,7,12-15,17H2,1H3,(H,26,30)(H,27,31)