2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-quinazolin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-quinazolin-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-[(4-methoxyphenyl)methyl]-6-morpholino-quinazolin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-4-quinazolinone IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-[(4-methoxyphenyl)methyl]-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-morpholino-3-p-anisyl-quinazolin-4-one Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H26ClN3O4S/c1-35-23-9-2-19(3-10-23)17-32-27(34)24-16-22(31-12-14-36-15-13-31)8-11-25(24)30-28(32)37-18-26(33)20-4-6-21(29)7-5-20/h2-11,16H,12-15,17-18H2,1H3