2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanone Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]-1-(4-fluorophenyl)ethanone Formula: C23H16FN3O3S MolecularWeight: 433.454843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H16FN3O3S/c24-15-7-5-14(6-8-15)19(28)12-31-23-26-18-4-2-1-3-17(18)22(27-23)25-16-9-10-20-21(11-16)30-13-29-20/h1-11H,12-13H2,(H,25,26,27)