3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(6-methanoyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(6-methanoyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea Traditional Name: 1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-piperonyl-thiourea Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O6S/c1-23(21(30)22-9-13-3-4-16-17(7-13)27-11-26-16)6-5-14-8-18-20(29-12-28-18)19(25-2)15(14)10-24/h3-4,7-8,10H,5-6,9,11-12H2,1-2H3,(H,22,30)