1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-oxo-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea Traditional Name: 1-piperonyl-3-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]thiourea Formula: C18H17N5O4S2 MolecularWeight: 431.48868

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C18H17N5O4S2/c24-15(5-6-16-20-17(23-27-16)14-2-1-7-29-14)21-22-18(28)19-9-11-3-4-12-13(8-11)26-10-25-12/h1-4,7-8H,5-6,9-10H2,(H,21,24)(H2,19,22,28)