1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(2-furylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(2-furanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-(2-furfuryl)-1-piperonyl-thiourea Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

InChI

InChI=1S/C22H28N2O3S/c28-22(23-18-7-4-2-1-3-5-8-18)24(15-19-9-6-12-25-19)14-17-10-11-20-21(13-17)27-16-26-20/h6,9-13,18H,1-5,7-8,14-16H2,(H,23,28)