(phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(3-methylsulfanylphenyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(3-methylsulfanylphenyl)carbamimidothioate Openeye Name: 2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)isothiourea CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-[3-(methylthio)phenyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(3-methylsulfanylphenyl)carbamimidothioate Traditional Name: 2-benzyl-3-[3-(methylthio)phenyl]-1,1-bis(p-anisyl)isothiourea Formula: C31H32N2O2S2 MolecularWeight: 528.72798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC(=CC=C3)SC)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC(=CC=C3)SC)SCC4=CC=CC=C4

InChI

InChI=1S/C31H32N2O2S2/c1-34-28-16-12-24(13-17-28)21-33(22-25-14-18-29(35-2)19-15-25)31(37-23-26-8-5-4-6-9-26)32-27-10-7-11-30(20-27)36-3/h4-20H,21-23H2,1-3H3