N-tert-butyl-2-(2-oxidanylideneethylsulfanyl)-3-phenyl-5-piperazin-1-yl-quinoline-4-carboxamide

Systemtic Name: N-tert-butyl-2-(2-oxidanylideneethylsulfanyl)-3-phenyl-5-piperazin-1-yl-quinoline-4-carboxamide Openeye Name: N-tert-butyl-2-(2-oxoethylsulfanyl)-3-phenyl-5-piperazin-1-yl-quinoline-4-carboxamide CAS Name: N-tert-butyl-2-(2-oxoethylthio)-3-phenyl-5-(1-piperazinyl)-4-quinolinecarboxamide IUPAC Name: N-tert-butyl-2-(2-oxoethylsulfanyl)-3-phenyl-5-piperazin-1-ylquinoline-4-carboxamide Traditional Name: N-tert-butyl-2-(2-ketoethylthio)-3-phenyl-5-piperazino-cinchoninamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C2C(=NC(=C1C3=CC=CC=C3)SCC=O)C=CC=C2N4CCNCC4

Isomeric SMILES

CC(C)(C)NC(=O)C1=C2C(=NC(=C1C3=CC=CC=C3)SCC=O)C=CC=C2N4CCNCC4

InChI

InChI=1S/C26H30N4O2S/c1-26(2,3)29-24(32)23-21(18-8-5-4-6-9-18)25(33-17-16-31)28-19-10-7-11-20(22(19)23)30-14-12-27-13-15-30/h4-11,16,27H,12-15,17H2,1-3H3,(H,29,32)