2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-quinolin-2-ylcarbonylhydrazinyl)butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-quinolin-2-ylcarbonylhydrazinyl)butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[(quinoline-2-carbonylamino)carbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[[oxo(2-quinolinyl)methyl]hydrazo]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[(quinaldoylamino)carbamoyl]propyl]benzamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=NC2=CC=CC=C2C=C1)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)NNC(=O)C1=NC2=CC=CC=C2C=C1)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN4O3S/c1-31-13-12-19(25-20(28)15-7-3-4-8-16(15)23)22(30)27-26-21(29)18-11-10-14-6-2-5-9-17(14)24-18/h2-11,19H,12-13H2,1H3,(H,25,28)(H,26,29)(H,27,30)