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

Systemtic Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide Openeye Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide CAS Name: N-[5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide IUPAC Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide Traditional Name: N-[5-[[2-keto-2-(piperonylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N4O4S2/c22-14(18-7-10-4-5-12-13(6-10)25-9-24-12)8-26-17-21-20-16(27-17)19-15(23)11-2-1-3-11/h4-6,11H,1-3,7-9H2,(H,18,22)(H,19,20,23)