(4-nitrophenyl)methyl N'-phenylcarbamimidothioate hydrobromide

Systemtic Name: (4-nitrophenyl)methyl N'-phenylcarbamimidothioate hydrobromide Openeye Name: 2-[(4-nitrophenyl)methyl]-3-phenyl-isothiourea hydrobromide CAS Name: N'-phenylcarbamimidothioic acid (4-nitrophenyl)methyl ester hydrobromide IUPAC Name: (4-nitrophenyl)methyl N'-phenylcarbamimidothioate hydrobromide Traditional Name: 2-(4-nitrobenzyl)-3-phenyl-isothiourea hydrobromide Formula: C14H14BrN3O2S MolecularWeight: 368.24886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-].Br

InChI

InChI=1S/C14H13N3O2S.BrH/c15-14(16-12-4-2-1-3-5-12)20-10-11-6-8-13(9-7-11)17(18)19;/h1-9H,10H2,(H2,15,16);1H