N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide

Systemtic Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethylpyrazole-4-carboxamide Traditional Name: 3-ethoxy-1-ethyl-N-[5-[[2-keto-2-(piperonylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Formula: C20H22N6O5S2 MolecularWeight: 490.55588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N6O5S2/c1-3-26-9-13(18(25-26)29-4-2)17(28)22-19-23-24-20(33-19)32-10-16(27)21-8-12-5-6-14-15(7-12)31-11-30-14/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,21,27)(H,22,23,28)