2-[(4-chlorophenyl)methylsulfanyl]-7-morpholin-4-ylcarbonyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-7-morpholin-4-ylcarbonyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(4-chlorophenyl)methylsulfanyl]-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-7-[4-morpholinyl(oxo)methyl]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-7-(morpholine-4-carbonyl)-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(4-chlorobenzyl)thio]-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)N=C1SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)N=C1SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN3O3S/c1-2-9-27-22(29)19-8-5-17(21(28)26-10-12-30-13-11-26)14-20(19)25-23(27)31-15-16-3-6-18(24)7-4-16/h2-8,14H,1,9-13,15H2