N-[2-(2-phenoxyethylsulfanyl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(2-phenoxyethylsulfanyl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(2-phenoxyethylsulfanyl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(2-phenoxyethylthio)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(2-phenoxyethylsulfanyl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(2-phenoxyethylthio)-1,3-benzothiazol-6-yl]-piperonylamide Formula: C23H18N2O4S2 MolecularWeight: 450.53002

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCCOC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCCOC5=CC=CC=C5

InChI

InChI=1S/C23H18N2O4S2/c26-22(15-6-9-19-20(12-15)29-14-28-19)24-16-7-8-18-21(13-16)31-23(25-18)30-11-10-27-17-4-2-1-3-5-17/h1-9,12-13H,10-11,14H2,(H,24,26)