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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(p-tolylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 3-(2,4-dimethoxyphenyl)-1-(4-methylbenzyl)-1-piperonyl-thiourea Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H26N2O4S/c1-17-4-6-18(7-5-17)14-27(15-19-8-11-22-24(12-19)31-16-30-22)25(32)26-21-10-9-20(28-2)13-23(21)29-3/h4-13H,14-16H2,1-3H3,(H,26,32)