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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethylphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethylphenyl)methyl]thiourea Traditional Name: 1-(3,5-dimethylbenzyl)-3-piperonyl-thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

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