3-[(4-chlorophenyl)methyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)methyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(4-chlorobenzyl)-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C29H28ClN3O5S MolecularWeight: 566.06772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)NCCOC)C(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)NCCOC)C(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H28ClN3O5S/c1-18(34)20-7-11-26(38-3)22(14-20)17-39-29-32-25-15-21(27(35)31-12-13-37-2)6-10-24(25)28(36)33(29)16-19-4-8-23(30)9-5-19/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,31,35)