N-(1,3-benzodioxol-5-yl)-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-3-13(2)24-20(26)15-6-4-5-7-16(15)23-21(24)29-11-19(25)22-14-8-9-17-18(10-14)28-12-27-17/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)