(4-methylsulfanylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 3-[(1S)-1-methylpropyl]-2-[(4-methylsulfanylphenyl)methyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 3-[(1S)-1-methylpropyl]-2-[4-(methylthio)benzyl]isothiourea Formula: C13H20N2S2 MolecularWeight: 268.4413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=CC=C(C=C1)SC

InChI

InChI=1S/C13H20N2S2/c1-4-10(2)15-13(14)17-9-11-5-7-12(16-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H2,14,15)/t10-/m0/s1