N-cyclopropyl-2-[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: 2-[1-(benzylcarbamoyl)propylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-oxo-1-[(phenylmethyl)amino]butan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[1-(benzylamino)-1-oxobutan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[1-(benzylcarbamoyl)propylthio]-N-cyclopropyl-cinchoninamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C24H25N3O2S/c1-2-21(24(29)25-15-16-8-4-3-5-9-16)30-22-14-19(23(28)26-17-12-13-17)18-10-6-7-11-20(18)27-22/h3-11,14,17,21H,2,12-13,15H2,1H3,(H,25,29)(H,26,28)