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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

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