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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-bromanylphenoxy)ethyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-bromophenoxy)ethyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-bromophenoxy)ethyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-bromophenoxy)ethyl]-1-methylthiourea Traditional Name: 1-[2-(4-bromophenoxy)ethyl]-1-methyl-3-piperonyl-thiourea Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3S/c1-21(8-9-22-15-5-3-14(19)4-6-15)18(25)20-11-13-2-7-16-17(10-13)24-12-23-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,25)