N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxidanylidene-quinolin-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxidanylidene-quinolin-2-yl]thiophene-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-2-quinolyl]thiophene-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-2-quinolinyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]thiophene-2-carboxamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-1-methyl-2-quinolyl]thiophene-2-carboxamide Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H16N2O4S/c1-24-15-6-3-2-5-14(15)20(25)19(13-8-9-16-17(11-13)28-12-27-16)21(24)23-22(26)18-7-4-10-29-18/h2-11H,12H2,1H3,(H,23,26)