2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)NCC=C

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C16H17BrN4O3S/c1-3-7-18-15(24)20-13(22)9-25-16-19-12-6-5-10(17)8-11(12)14(23)21(16)4-2/h3,5-6,8H,1,4,7,9H2,2H3,(H2,18,20,22,24)