N-[2,5-bis(chloranyl)phenyl]-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2,5-bis(chloranyl)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-(2,5-dichlorophenyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2,5-dichlorophenyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2,5-dichlorophenyl)propionamide Formula: C20H16Cl3N3O2S MolecularWeight: 468.78394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H16Cl3N3O2S/c1-3-8-26-19(28)14-6-4-12(21)9-16(14)25-20(26)29-11(2)18(27)24-17-10-13(22)5-7-15(17)23/h3-7,9-11H,1,8H2,2H3,(H,24,27)