(4-bromophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (4-bromophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(4-bromophenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(4-bromobenzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C16H17BrN2S MolecularWeight: 349.28858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2S/c1-12(14-5-3-2-4-6-14)19-16(18)20-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H2,18,19)/t12-/m1/s1