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

Systemtic Name: 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]butanamide Openeye Name: 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolylmethyl)butanamide CAS Name: 2-[[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]butanamide IUPAC Name: 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]butanamide Traditional Name: 2-[(4-keto-6,7-dimethoxy-3-p-anisyl-quinazolin-2-yl)thio]-N-(4-methylbenzyl)butyramide Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C30H33N3O5S/c1-6-27(28(34)31-17-20-9-7-19(2)8-10-20)39-30-32-24-16-26(38-5)25(37-4)15-23(24)29(35)33(30)18-21-11-13-22(36-3)14-12-21/h7-16,27H,6,17-18H2,1-5H3,(H,31,34)