N-(4-tert-butylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C23H27N3O3S/c1-23(2,3)16-9-11-17(12-10-16)24-20(28)15-30-22-25-19-8-5-4-7-18(19)21(29)26(22)13-6-14-27/h4-5,7-12,27H,6,13-15H2,1-3H3,(H,24,28)