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

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H13F2N3O4S MolecularWeight: 417.386026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC1=S

InChI

InChI=1S/C19H13F2N3O4S/c1-2-7-24-17(26)12-5-3-10(8-13(12)23-18(24)29)16(25)22-11-4-6-14-15(9-11)28-19(20,21)27-14/h2-6,8-9H,1,7H2,(H,22,25)(H,23,29)