(4-methylsulfanylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,6-dimethylphenyl)-2-[(4-methylsulfanylphenyl)methyl]isothiourea CAS Name: N'-(2,6-dimethylphenyl)carbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,6-dimethylphenyl)-2-[4-(methylthio)benzyl]isothiourea Formula: C17H20N2S2 MolecularWeight: 316.4841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(N)SCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(N)SCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H20N2S2/c1-12-5-4-6-13(2)16(12)19-17(18)21-11-14-7-9-15(20-3)10-8-14/h4-10H,11H2,1-3H3,(H2,18,19)