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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H19N3O3S/c1-13-21-16-6-3-2-5-15(16)20(22-13)27-12-19(24)23-14-7-8-17-18(11-14)26-10-4-9-25-17/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,23,24)