3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)thiourea Traditional Name: 1-methyl-1-(2-phenoxyethyl)-3-piperonyl-thiourea Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CCOC1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3S/c1-20(9-10-21-15-5-3-2-4-6-15)18(24)19-12-14-7-8-16-17(11-14)23-13-22-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,24)