N-(1,3-benzodioxol-5-yl)-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]acetamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N4O4S/c1-27-9-8-24-23(27)22(29)16-11-21(26-17-5-3-2-4-15(16)17)32-12-20(28)25-14-6-7-18-19(10-14)31-13-30-18/h2-11H,12-13H2,1H3,(H,25,28)