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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-cyclopentyl-3-piperonyl-1-(2,3,4-trimethoxybenzyl)thiourea Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN(C2CCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN(C2CCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C24H30N2O5S/c1-27-20-11-9-17(22(28-2)23(20)29-3)14-26(18-6-4-5-7-18)24(32)25-13-16-8-10-19-21(12-16)31-15-30-19/h8-12,18H,4-7,13-15H2,1-3H3,(H,25,32)