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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C)C

InChI

InChI=1S/C25H31N3O3S/c1-5-19-11-8-10-18(4)23(19)27-22(29)16-32-25-26-21-13-7-6-12-20(21)24(30)28(25)14-9-15-31-17(2)3/h6-8,10-13,17H,5,9,14-16H2,1-4H3,(H,27,29)