N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-fluorophenyl)-4-keto-N-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H16FN3O4S MolecularWeight: 449.454243

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H16FN3O4S/c24-15-3-5-16(6-4-15)27-22(29)17-7-2-14(10-18(17)26-23(27)32)21(28)25-11-13-1-8-19-20(9-13)31-12-30-19/h1-10H,11-12H2,(H,25,28)(H,26,32)