(4-methylsulfanylphenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate Openeye Name: 3-(2-methoxyphenyl)-2-[(4-methylsulfanylphenyl)methyl]isothiourea CAS Name: N'-(2-methoxyphenyl)carbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate Traditional Name: 3-(2-methoxyphenyl)-2-[4-(methylthio)benzyl]isothiourea Formula: C16H18N2OS2 MolecularWeight: 318.45692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N=C(N)SCC2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC=CC=C1N=C(N)SCC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H18N2OS2/c1-19-15-6-4-3-5-14(15)18-16(17)21-11-12-7-9-13(20-2)10-8-12/h3-10H,11H2,1-2H3,(H2,17,18)