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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methylthiourea Traditional Name: 1-[3-(3,4-dimethoxyphenyl)propyl]-1-methyl-3-piperonyl-thiourea Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=C(C=C1)OC)OC)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CCCC1=CC(=C(C=C1)OC)OC)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O4S/c1-23(10-4-5-15-6-8-17(24-2)19(11-15)25-3)21(28)22-13-16-7-9-18-20(12-16)27-14-26-18/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,22,28)