3-phenylbutyl carbamimidothioate hydrobromide

Systemtic Name: 3-phenylbutyl carbamimidothioate hydrobromide Openeye Name: 2-(3-phenylbutyl)isothiourea hydrobromide CAS Name: carbamimidothioic acid 3-phenylbutyl ester hydrobromide IUPAC Name: 3-phenylbutyl carbamimidothioate hydrobromide Traditional Name: 2-(3-phenylbutyl)isothiourea hydrobromide Formula: C11H17BrN2S MolecularWeight: 289.23508

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC(=N)N)C1=CC=CC=C1.Br

Isomeric SMILES

CC(CCSC(=N)N)C1=CC=CC=C1.Br

InChI

InChI=1S/C11H16N2S.BrH/c1-9(7-8-14-11(12)13)10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3,(H3,12,13);1H