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

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 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-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C16H9F2N3O4S MolecularWeight: 377.322166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC(=S)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC(=S)NC2=O

InChI

InChI=1S/C16H9F2N3O4S/c17-16(18)24-11-4-2-8(6-12(11)25-16)19-13(22)7-1-3-9-10(5-7)20-15(26)21-14(9)23/h1-6H,(H,19,22)(H2,20,21,23,26)