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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-(p-tolylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-(4-methylbenzyl)-3-o-phenetyl-1-piperonyl-thiourea Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26N2O3S/c1-3-28-22-7-5-4-6-21(22)26-25(31)27(15-19-10-8-18(2)9-11-19)16-20-12-13-23-24(14-20)30-17-29-23/h4-14H,3,15-17H2,1-2H3,(H,26,31)