1-(1,3-benzodioxol-5-ylmethyl)-3-(6-fluoranyl-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(6-fluoranyl-1,3-benzothiazol-2-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(6-fluoro-1,3-benzothiazol-2-yl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(6-fluoro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(6-fluoro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(6-fluoro-1,3-benzothiazol-2-yl)-3-piperonyl-urea Formula: C16H12FN3O3S MolecularWeight: 345.348183

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C16H12FN3O3S/c17-10-2-3-11-14(6-10)24-16(19-11)20-15(21)18-7-9-1-4-12-13(5-9)23-8-22-12/h1-6H,7-8H2,(H2,18,19,20,21)