N-(2,6-diethoxyphenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,6-diethoxyphenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-diethoxyphenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-diethoxyphenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2,6-diethoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2,6-diethoxyphenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC=C1)OCC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCOC1=C(C(=CC=C1)OCC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H23N3O4S/c1-4-27-16-11-8-12-17(28-5-2)19(16)23-18(25)13-29-21-22-15-10-7-6-9-14(15)20(26)24(21)3/h6-12H,4-5,13H2,1-3H3,(H,23,25)