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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C27H26ClN3O4S MolecularWeight: 524.03104

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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)CC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C27H26ClN3O4S/c1-34-23-14-21-22(15-24(23)35-2)30-27(31(26(21)33)16-19-8-10-20(28)11-9-19)36-17-25(32)29-13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,29,32)