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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27N3O4S/c1-18-7-6-8-20(15-18)28-25(31)17-35-27-29-22-10-5-4-9-21(22)26(32)30(27)14-13-19-11-12-23(33-2)24(16-19)34-3/h4-12,15-16H,13-14,17H2,1-3H3,(H,28,31)