N-(2-chloranyl-5-nitro-phenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C20H16Cl2N4O4S MolecularWeight: 479.33644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H16Cl2N4O4S/c1-3-8-25-19(28)14-6-4-12(21)9-16(14)24-20(25)31-11(2)18(27)23-17-10-13(26(29)30)5-7-15(17)22/h3-7,9-11H,1,8H2,2H3,(H,23,27)