N-(4-bromanyl-2-methyl-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C22H22BrN3O3S/c1-14-11-15(23)8-9-18(14)24-20(27)13-30-22-25-19-7-3-2-6-17(19)21(28)26(22)12-16-5-4-10-29-16/h2-3,6-9,11,16H,4-5,10,12-13H2,1H3,(H,24,27)