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

Systemtic Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide CAS Name: N-[5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide Traditional Name: N-[5-[[2-keto-2-(piperonylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C18H18N6O5S2 MolecularWeight: 462.50272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N6O5S2/c1-24-7-11(16(23-24)27-2)15(26)20-17-21-22-18(31-17)30-8-14(25)19-6-10-3-4-12-13(5-10)29-9-28-12/h3-5,7H,6,8-9H2,1-2H3,(H,19,25)(H,20,21,26)