N-(2-butan-2-ylphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(2-sec-butylphenyl)propionamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C26H31N3O3S/c1-4-17(2)20-11-5-7-13-22(20)27-24(30)18(3)33-26-28-23-14-8-6-12-21(23)25(31)29(26)16-19-10-9-15-32-19/h5-8,11-14,17-19H,4,9-10,15-16H2,1-3H3,(H,27,30)