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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

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