(3-bromophenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride

Systemtic Name: (3-bromophenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride Openeye Name: 2-[(3-bromophenyl)methyl]-3-(2-furylmethyl)isothiourea hydrochloride CAS Name: N'-(2-furanylmethyl)carbamimidothioic acid (3-bromophenyl)methyl ester hydrochloride IUPAC Name: (3-bromophenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride Traditional Name: 2-(3-bromobenzyl)-3-(2-furfuryl)isothiourea hydrochloride Formula: C13H14BrClN2OS MolecularWeight: 361.68506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC(=NCC2=CC=CO2)N.Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC(=NCC2=CC=CO2)N.Cl

InChI

InChI=1S/C13H13BrN2OS.ClH/c14-11-4-1-3-10(7-11)9-18-13(15)16-8-12-5-2-6-17-12;/h1-7H,8-9H2,(H2,15,16);1H