N-(4-butan-2-ylphenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(4-sec-butylphenyl)acetamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C

InChI

InChI=1S/C26H33N3O3S/c1-5-19(4)20-11-13-21(14-12-20)27-24(30)17-33-26-28-23-10-7-6-9-22(23)25(31)29(26)15-8-16-32-18(2)3/h6-7,9-14,18-19H,5,8,15-17H2,1-4H3,(H,27,30)