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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(CC)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(CC)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C30H33N3O5S/c1-6-20-10-8-9-11-23(20)31-28(34)27(7-2)39-30-32-24-17-26(38-5)25(37-4)16-22(24)29(35)33(30)18-19-12-14-21(36-3)15-13-19/h8-17,27H,6-7,18H2,1-5H3,(H,31,34)