N-[4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]acetamide CAS Name: N-[4-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide Traditional Name: N-[4-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]acetamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c1-3-10-25-20(28)17-9-6-15(22)11-18(17)24-21(25)29-12-19(27)14-4-7-16(8-5-14)23-13(2)26/h3-9,11H,1,10,12H2,2H3,(H,23,26)