N-cyclopropyl-2-[1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl]thio]cinchoninamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C26H27N3O3S/c1-15(2)25(31)27-18-10-8-17(9-11-18)24(30)16(3)33-23-14-21(26(32)28-19-12-13-19)20-6-4-5-7-22(20)29-23/h4-11,14-16,19H,12-13H2,1-3H3,(H,27,31)(H,28,32)