N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide CAS Name: N-[5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide IUPAC Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide Traditional Name: N-[5-[[2-keto-2-(piperonylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(S3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(S3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O5S2/c25-17(10-27-14-4-2-1-3-5-14)22-19-23-24-20(31-19)30-11-18(26)21-9-13-6-7-15-16(8-13)29-12-28-15/h1-8H,9-12H2,(H,21,26)(H,22,23,25)