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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N4O5S2/c1-27-14-5-3-2-4-13(14)18(26)22-19-23-24-20(31-19)30-10-17(25)21-9-12-6-7-15-16(8-12)29-11-28-15/h2-8H,9-11H2,1H3,(H,21,25)(H,22,23,26)