N-(1,3-benzodioxol-5-yl)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C21H18ClN3O4S/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/h3-7,9-10,12H,1,8,11H2,2H3,(H,23,26)