2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O4S/c1-4-5-12-25-21(27)16-8-6-7-9-17(16)24-22(25)30-14-20(26)23-15-10-11-18(28-2)19(13-15)29-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,26)