2-[3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-[2-(4-chlorophenyl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C28H28ClN3O4S MolecularWeight: 538.05762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CCC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CCC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C28H28ClN3O4S/c1-35-24-16-22-23(17-25(24)36-2)31-28(32(27(22)34)15-13-20-8-10-21(29)11-9-20)37-18-26(33)30-14-12-19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,33)