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

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

Click to see the large picture

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)C)OC

Isomeric SMILES

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

InChI

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