(4-methylsulfanylphenyl)methyl N'-cyclopentylcarbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 3-cyclopentyl-2-[(4-methylsulfanylphenyl)methyl]isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 3-cyclopentyl-2-[4-(methylthio)benzyl]isothiourea Formula: C14H20N2S2 MolecularWeight: 280.452

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CSC(=NC2CCCC2)N

Isomeric SMILES

CSC1=CC=C(C=C1)CSC(=NC2CCCC2)N

InChI

InChI=1S/C14H20N2S2/c1-17-13-8-6-11(7-9-13)10-18-14(15)16-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H2,15,16)