N-[4-methylsulfanyl-1-oxidanylidene-1-[2-(2-pyridin-3-ylquinolin-4-yl)carbonylhydrazinyl]butan-2-yl]benzamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[2-(2-pyridin-3-ylquinolin-4-yl)carbonylhydrazinyl]butan-2-yl]benzamide Openeye Name: N-[3-methylsulfanyl-1-[[[2-(3-pyridyl)quinoline-4-carbonyl]amino]carbamoyl]propyl]benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-[[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]hydrazo]butan-2-yl]benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-[2-(2-pyridin-3-ylquinoline-4-carbonyl)hydrazinyl]butan-2-yl]benzamide Traditional Name: N-[3-(methylthio)-1-[[[2-(3-pyridyl)quinoline-4-carbonyl]amino]carbamoyl]propyl]benzamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N5O3S/c1-36-15-13-23(30-25(33)18-8-3-2-4-9-18)27(35)32-31-26(34)21-16-24(19-10-7-14-28-17-19)29-22-12-6-5-11-20(21)22/h2-12,14,16-17,23H,13,15H2,1H3,(H,30,33)(H,31,34)(H,32,35)