N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-homopiperonyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)NC1=S

InChI

InChI=1S/C21H19N3O4S/c1-2-9-24-20(26)15-5-4-14(11-16(15)23-21(24)29)19(25)22-8-7-13-3-6-17-18(10-13)28-12-27-17/h2-6,10-11H,1,7-9,12H2,(H,22,25)(H,23,29)