1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]thiourea Traditional Name: 1-[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]-3-piperonyl-thiourea Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-13-5-4-6-14(2)19(13)23-11-15(3)22-20(26)21-10-16-7-8-17-18(9-16)25-12-24-17/h4-9,15H,10-12H2,1-3H3,(H2,21,22,26)