N-(4-acetamidophenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN4O3S/c1-3-10-26-20(29)17-9-4-14(22)11-18(17)25-21(26)30-12-19(28)24-16-7-5-15(6-8-16)23-13(2)27/h3-9,11H,1,10,12H2,2H3,(H,23,27)(H,24,28)