N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19N3O4S/c1-13-10-20(23-16-5-3-2-4-15(13)16)29-12-19(25)24-21(26)22-14-6-7-17-18(11-14)28-9-8-27-17/h2-7,10-11H,8-9,12H2,1H3,(H2,22,24,25,26)