(2-bromophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (2-bromophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(2-bromophenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(2-bromobenzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C12H17BrN2S MolecularWeight: 301.24578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCC1=CC=CC=C1Br

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=CC=CC=C1Br

InChI

InChI=1S/C12H17BrN2S/c1-3-9(2)15-12(14)16-8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H2,14,15)/t9-/m0/s1