N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-veratryl-acetamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C27H27N3O4S/c1-17-9-11-22(18(2)13-17)30-26(32)20-7-5-6-8-21(20)29-27(30)35-16-25(31)28-15-19-10-12-23(33-3)24(14-19)34-4/h5-14H,15-16H2,1-4H3,(H,28,31)