methyl N-(4-bromophenyl)-N'-[(4-methylphenyl)methyl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN=C(NC2=CC=C(C=C2)Br)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN=C(NC2=CC=C(C=C2)Br)SC

InChI

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