N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-oxolanylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)-piperonylamide Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(OC1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17BrN2O4S/c21-13-4-5-15-18(9-13)28-20(22-15)23(10-14-2-1-7-25-14)19(24)12-3-6-16-17(8-12)27-11-26-16/h3-6,8-9,14H,1-2,7,10-11H2