3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylthiourea Traditional Name: 1-homoveratryl-1-methyl-3-piperonyl-thiourea Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O4S/c1-22(9-8-14-4-6-16(23-2)18(10-14)24-3)20(27)21-12-15-5-7-17-19(11-15)26-13-25-17/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,21,27)