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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-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-ylmethyl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C22H21N3O4S/c1-3-10-25-21(27)16-6-4-5-7-17(16)24-22(25)30-14(2)20(26)23-12-15-8-9-18-19(11-15)29-13-28-18/h3-9,11,14H,1,10,12-13H2,2H3,(H,23,26)