N-(furan-2-ylmethylcarbamoyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-furylmethylcarbamoyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-furfurylcarbamoyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC(=O)NCC3=CC=CO3)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC(=O)NCC3=CC=CO3)C)C

InChI

InChI=1S/C20H21N3O3S/c1-12-7-14(3)19-16(8-12)13(2)9-18(23-19)27-11-17(24)22-20(25)21-10-15-5-4-6-26-15/h4-9H,10-11H2,1-3H3,(H2,21,22,24,25)