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

Systemtic Name: N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]-piperonylamide Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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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)SCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=C5

InChI

InChI=1S/C22H16N2O3S2/c25-21(15-6-9-18-19(10-15)27-13-26-18)23-16-7-8-17-20(11-16)29-22(24-17)28-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,25)