N-(1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C21H19N3O4S/c1-3-10-24-20(26)15-6-4-5-7-16(15)23-21(24)29-13(2)19(25)22-14-8-9-17-18(11-14)28-12-27-17/h3-9,11,13H,1,10,12H2,2H3,(H,22,25)