1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-benzyl-3-(2,5-dimethylphenyl)-1-piperonyl-thiourea Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H24N2O2S/c1-17-8-9-18(2)21(12-17)25-24(29)26(14-19-6-4-3-5-7-19)15-20-10-11-22-23(13-20)28-16-27-22/h3-13H,14-16H2,1-2H3,(H,25,29)