N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-keto-1H-quinoline-4-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O2S/c1-28-11-10-18(20-23-16-8-4-5-9-17(16)24-20)25-21(27)14-12-19(26)22-15-7-3-2-6-13(14)15/h2-9,12,18H,10-11H2,1H3,(H,22,26)(H,23,24)(H,25,27)