(4-bromophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-bromophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(4-bromophenyl)methyl]-3-(2,5-dimethylphenyl)isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 2-(4-bromobenzyl)-3-(2,5-dimethylphenyl)isothiourea Formula: C16H17BrN2S MolecularWeight: 349.28858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2S/c1-11-3-4-12(2)15(9-11)19-16(18)20-10-13-5-7-14(17)8-6-13/h3-9H,10H2,1-2H3,(H2,18,19)