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

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H13F2N3O4S MolecularWeight: 405.375326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F2N3O4S/c1-2-23-16(25)11-5-3-9(7-12(11)22-17(23)28)15(24)21-10-4-6-13-14(8-10)27-18(19,20)26-13/h3-8H,2H2,1H3,(H,21,24)(H,22,28)