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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluoro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-N-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H15ClFN3O4S MolecularWeight: 483.899303

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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)Cl

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)Cl

InChI

InChI=1S/C23H15ClFN3O4S/c24-16-9-14(3-5-17(16)25)28-22(30)15-4-2-13(8-18(15)27-23(28)33)21(29)26-10-12-1-6-19-20(7-12)32-11-31-19/h1-9H,10-11H2,(H,26,29)(H,27,33)