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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-morpholin-4-ylcarbonyl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-(morpholine-4-carbonyl)-3-phenethyl-quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-7-[4-morpholinyl(oxo)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-(morpholine-4-carbonyl)-3-phenethylquinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-7-(morpholine-4-carbonyl)-3-phenethyl-quinazolin-4-one Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)CCC5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O3S/c29-23-8-4-7-21(17-23)19-36-28-30-25-18-22(26(33)31-13-15-35-16-14-31)9-10-24(25)27(34)32(28)12-11-20-5-2-1-3-6-20/h1-10,17-18H,11-16,19H2