(4-methylsulfanylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(4-methylsulfanylphenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-[4-(methylthio)benzyl]-3-[(1R)-1-phenylethyl]isothiourea Formula: C17H20N2S2 MolecularWeight: 316.4841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H20N2S2/c1-13(15-6-4-3-5-7-15)19-17(18)21-12-14-8-10-16(20-2)11-9-14/h3-11,13H,12H2,1-2H3,(H2,18,19)/t13-/m1/s1