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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-methylphenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(o-tolylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-methylphenyl)methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-methylphenyl)methyl]thiourea Traditional Name: 1-methyl-1-(2-methylbenzyl)-3-piperonyl-thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O2S/c1-13-5-3-4-6-15(13)11-20(2)18(23)19-10-14-7-8-16-17(9-14)22-12-21-16/h3-9H,10-12H2,1-2H3,(H,19,23)