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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-bromophenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-bromophenyl)methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-bromophenyl)methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-bromophenyl)methyl]-1-methylthiourea Traditional Name: 1-(2-bromobenzyl)-1-methyl-3-piperonyl-thiourea Formula: C17H17BrN2O2S MolecularWeight: 393.29808

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17BrN2O2S/c1-20(10-13-4-2-3-5-14(13)18)17(23)19-9-12-6-7-15-16(8-12)22-11-21-15/h2-8H,9-11H2,1H3,(H,19,23)