N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylbutanamide Traditional Name: 2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]-N-(5-methylisoxazol-3-yl)butyramide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-3-21(23(30)27-22-16-17(2)32-28-22)33-25-26-20-14-8-7-13-19(20)24(31)29(25)15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14,16,21H,3,9,12,15H2,1-2H3,(H,27,28,30)