[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-azanyl-N'-tert-butyl-N-methyl-carbamimidothioate hydrobromide

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-azanyl-N'-tert-butyl-N-methyl-carbamimidothioate hydrobromide Openeye Name: 1-amino-3-tert-butyl-2-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-methyl-isothiourea hydrobromide CAS Name: N-amino-N'-tert-butyl-N-methylcarbamimidothioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester hydrobromide IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] N-amino-N'-tert-butyl-N-methylcarbamimidothioate hydrobromide Traditional Name: 1-amino-3-tert-butyl-2-[2-(4-chlorophenyl)-2-keto-ethyl]-1-methyl-isothiourea hydrobromide Formula: C14H21BrClN3OS MolecularWeight: 394.75804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N(C)N)SCC(=O)C1=CC=C(C=C1)Cl.Br

Isomeric SMILES

CC(C)(C)N=C(N(C)N)SCC(=O)C1=CC=C(C=C1)Cl.Br

InChI

InChI=1S/C14H20ClN3OS.BrH/c1-14(2,3)17-13(18(4)16)20-9-12(19)10-5-7-11(15)8-6-10;/h5-8H,9,16H2,1-4H3;1H