(4-bromophenyl)methyl N'-(2-methylpropyl)carbamimidothioate

Systemtic Name: (4-bromophenyl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(4-bromophenyl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 2-(4-bromobenzyl)-3-isobutyl-isothiourea Formula: C12H17BrN2S MolecularWeight: 301.24578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2S/c1-9(2)7-15-12(14)16-8-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15)