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

Systemtic Name: N-[4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]propanamide CAS Name: N-[4-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]propionamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S/c1-3-11-26-21(29)17-10-7-15(23)12-18(17)25-22(26)30-13-19(27)14-5-8-16(9-6-14)24-20(28)4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,24,28)