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

Systemtic Name: N-(4-tert-butylphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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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)N2CC4CCCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C25H29N3O3S/c1-25(2,3)17-10-12-18(13-11-17)26-22(29)16-32-24-27-21-9-5-4-8-20(21)23(30)28(24)15-19-7-6-14-31-19/h4-5,8-13,19H,6-7,14-16H2,1-3H3,(H,26,29)