1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(2,4-dimethoxyphenyl)-1-(2-furfuryl)-1-piperonyl-thiourea Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4)OC

InChI

InChI=1S/C22H22N2O5S/c1-25-16-6-7-18(20(11-16)26-2)23-22(30)24(13-17-4-3-9-27-17)12-15-5-8-19-21(10-15)29-14-28-19/h3-11H,12-14H2,1-2H3,(H,23,30)