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

Systemtic Name: N-cyclopropyl-2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[4-(isovalerylamino)phenyl]-2-keto-ethyl]thio]cinchoninamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C26H27N3O3S/c1-16(2)13-24(31)27-18-9-7-17(8-10-18)23(30)15-33-25-14-21(26(32)28-19-11-12-19)20-5-3-4-6-22(20)29-25/h3-10,14,16,19H,11-13,15H2,1-2H3,(H,27,31)(H,28,32)