3-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromanylthiophen-2-yl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromanylthiophen-2-yl)methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromo-2-thienyl)methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromo-2-thiophenyl)methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromothiophen-2-yl)methyl]-1-methylthiourea Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-1-methyl-3-piperonyl-thiourea Formula: C15H15BrN2O2S2 MolecularWeight: 399.3258

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC1=CC=C(S1)Br)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H15BrN2O2S2/c1-18(8-11-3-5-14(16)22-11)15(21)17-7-10-2-4-12-13(6-10)20-9-19-12/h2-6H,7-9H2,1H3,(H,17,21)