N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21N3O4S/c1-14-11-21(24-17-6-3-2-5-16(14)17)30-13-20(26)25-22(27)23-15-7-8-18-19(12-15)29-10-4-9-28-18/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H2,23,25,26,27)