methyl N-(3-bromophenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(3-bromophenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 1-(3-bromophenyl)-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N-(3-bromophenyl)-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-bromophenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1-(3-bromophenyl)-2-methyl-3-(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(NC2=CC(=CC=C2)Br)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N=C(NC2=CC(=CC=C2)Br)SC

InChI

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