N-(1,3-benzodioxol-5-yl)-2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]propionamide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20BrN3O4S/c1-3-8-25-20(27)15-9-13(22)4-6-16(15)24-21(25)30-12(2)19(26)23-14-5-7-17-18(10-14)29-11-28-17/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,26)