N-(2-ethyl-6-methyl-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

InChI=1S/C22H25N3O3S/c1-3-16-9-6-8-15(2)20(16)24-19(27)14-29-22-23-18-11-5-4-10-17(18)21(28)25(22)12-7-13-26/h4-6,8-11,26H,3,7,12-14H2,1-2H3,(H,24,27)