(phenylmethyl) N-benzamido-N'-(4-chlorophenyl)carbamimidothioate hydrobromide

Systemtic Name: (phenylmethyl) N-benzamido-N'-(4-chlorophenyl)carbamimidothioate hydrobromide Openeye Name: 1-benzamido-2-benzyl-3-(4-chlorophenyl)isothiourea hydrobromide CAS Name: N-benzamido-N'-(4-chlorophenyl)carbamimidothioic acid (phenylmethyl) ester hydrobromide IUPAC Name: benzyl N-benzamido-N'-(4-chlorophenyl)carbamimidothioate hydrobromide Traditional Name: 1-benzamido-2-benzyl-3-(4-chlorophenyl)isothiourea hydrobromide Formula: C21H19BrClN3OS MolecularWeight: 476.81706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC2=CC=C(C=C2)Cl)NNC(=O)C3=CC=CC=C3.Br

Isomeric SMILES

C1=CC=C(C=C1)CSC(=NC2=CC=C(C=C2)Cl)NNC(=O)C3=CC=CC=C3.Br

InChI

InChI=1S/C21H18ClN3OS.BrH/c22-18-11-13-19(14-12-18)23-21(27-15-16-7-3-1-4-8-16)25-24-20(26)17-9-5-2-6-10-17;/h1-14H,15H2,(H,23,25)(H,24,26);1H