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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)butanamide Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)butanamide CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)butanamide IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)butanamide Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]-N-(2-methoxyphenyl)butyramide Formula: C28H28ClN3O5S MolecularWeight: 554.05702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)Cl)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)Cl)OC)OC

InChI

InChI=1S/C28H28ClN3O5S/c1-5-25(26(33)30-20-8-6-7-9-22(20)35-2)38-28-31-21-15-24(37-4)23(36-3)14-19(21)27(34)32(28)16-17-10-12-18(29)13-11-17/h6-15,25H,5,16H2,1-4H3,(H,30,33)