(4-methylsulfanylphenyl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(4-methylsulfanylphenyl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[4-(methylthio)benzyl]isothiourea Formula: C13H20N2S2 MolecularWeight: 268.4413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=CC=C(C=C1)SC

InChI

InChI=1S/C13H20N2S2/c1-13(2,3)15-12(14)17-9-10-5-7-11(16-4)8-6-10/h5-8H,9H2,1-4H3,(H2,14,15)