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

Systemtic Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Openeye Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide CAS Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: N-(ethylcarbamoyl)-2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]propionamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H26N4O5S/c1-5-24-22(30)26-20(28)14(2)33-23-25-17-9-7-6-8-16(17)21(29)27(23)13-15-10-11-18(31-3)19(12-15)32-4/h6-12,14H,5,13H2,1-4H3,(H2,24,26,28,30)