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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H27N3O4S/c1-5-6-13-26-22(28)17-9-7-8-10-18(17)25-23(26)31-15(2)21(27)24-16-11-12-19(29-3)20(14-16)30-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,27)