(4-chlorophenyl)methyl N-benzamido-N'-phenyl-carbamimidothioate hydrobromide

Systemtic Name: (4-chlorophenyl)methyl N-benzamido-N'-phenyl-carbamimidothioate hydrobromide Openeye Name: 1-benzamido-2-[(4-chlorophenyl)methyl]-3-phenyl-isothiourea hydrobromide CAS Name: N-benzamido-N'-phenylcarbamimidothioic acid (4-chlorophenyl)methyl ester hydrobromide IUPAC Name: (4-chlorophenyl)methyl N-benzamido-N'-phenylcarbamimidothioate hydrobromide Traditional Name: 1-benzamido-2-(4-chlorobenzyl)-3-phenyl-isothiourea hydrobromide Formula: C21H19BrClN3OS MolecularWeight: 476.81706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNC(=NC2=CC=CC=C2)SCC3=CC=C(C=C3)Cl.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC(=NC2=CC=CC=C2)SCC3=CC=C(C=C3)Cl.Br

InChI

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