(4-bromophenyl)methyl N'-butylcarbamimidothioate

Systemtic Name: (4-bromophenyl)methyl N'-butylcarbamimidothioate Openeye Name: 2-[(4-bromophenyl)methyl]-3-butyl-isothiourea CAS Name: N'-butylcarbamimidothioic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl N'-butylcarbamimidothioate Traditional Name: 2-(4-bromobenzyl)-3-butyl-isothiourea Formula: C12H17BrN2S MolecularWeight: 301.24578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCC1=CC=C(C=C1)Br

Isomeric SMILES

CCCCN=C(N)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C12H17BrN2S/c1-2-3-8-15-12(14)16-9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H2,14,15)