1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-piperonyl-3-(2,4,5-trimethoxybenzyl)thiourea Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=S)NCC2=CC3=C(C=C2)OCO3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=S)NCC2=CC3=C(C=C2)OCO3)OC)OC

InChI

InChI=1S/C19H22N2O5S/c1-22-15-8-17(24-3)16(23-2)7-13(15)10-21-19(27)20-9-12-4-5-14-18(6-12)26-11-25-14/h4-8H,9-11H2,1-3H3,(H2,20,21,27)