cyclopropylmethyl N-(4-tert-butylphenyl)-N'-ethyl-carbamimidothioate bromide

Systemtic Name: cyclopropylmethyl N-(4-tert-butylphenyl)-N'-ethyl-carbamimidothioate bromide Openeye Name: 1-(4-tert-butylphenyl)-2-(cyclopropylmethyl)-3-ethyl-isothiourea bromide CAS Name: N-(4-tert-butylphenyl)-N'-ethylcarbamimidothioic acid cyclopropylmethyl ester bromide IUPAC Name: cyclopropylmethyl N-(4-tert-butylphenyl)-N'-ethylcarbamimidothioate bromide Traditional Name: 1-(4-tert-butylphenyl)-2-(cyclopropylmethyl)-3-ethyl-isothiourea bromide Formula: C17H26BrN2S- MolecularWeight: 370.37074

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC1=CC=C(C=C1)C(C)(C)C)SCC2CC2.[Br-]

Isomeric SMILES

CCN=C(NC1=CC=C(C=C1)C(C)(C)C)SCC2CC2.[Br-]

InChI

InChI=1S/C17H26N2S.BrH/c1-5-18-16(20-12-13-6-7-13)19-15-10-8-14(9-11-15)17(2,3)4;/h8-11,13H,5-7,12H2,1-4H3,(H,18,19);1H/p-1