N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C18H13F2N3O4S/c19-18(20)26-13-6-5-10(9-14(13)27-18)21-15(24)7-8-23-16(25)11-3-1-2-4-12(11)22-17(23)28/h1-6,9H,7-8H2,(H,21,24)(H,22,28)