2-propan-2-yl-1H-quinazolin-4-one; N-(4-propoxyphenyl)-2-sulfanyl-ethanamide

Systemtic Name: 2-propan-2-yl-1H-quinazolin-4-one; N-(4-propoxyphenyl)-2-sulfanyl-ethanamide Openeye Name: 2-isopropyl-1H-quinazolin-4-one; N-(4-propoxyphenyl)-2-sulfanyl-acetamide CAS Name: 2-mercapto-N-(4-propoxyphenyl)acetamide; 2-propan-2-yl-1H-quinazolin-4-one IUPAC Name: 2-propan-2-yl-1H-quinazolin-4-one; N-(4-propoxyphenyl)-2-sulfanylacetamide Traditional Name: 2-isopropyl-1H-quinazolin-4-one; 2-mercapto-N-(4-propoxyphenyl)acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CS.CC(C)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)CS.CC(C)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C11H12N2O.C11H15NO2S/c1-7(2)10-12-9-6-4-3-5-8(9)11(14)13-10;1-2-7-14-10-5-3-9(4-6-10)12-11(13)8-15/h3-7H,1-2H3,(H,12,13,14);3-6,15H,2,7-8H2,1H3,(H,12,13)