(phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methoxy-5-phenyl-phenyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methoxy-5-phenyl-phenyl)carbamimidothioate Openeye Name: 2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]-3-(2-methoxy-5-phenyl-phenyl)isothiourea CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methoxy-5-phenylphenyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methoxy-5-phenylphenyl)carbamimidothioate Traditional Name: 2-benzyl-3-(2-methoxy-5-phenyl-phenyl)-1,1-bis(p-anisyl)isothiourea Formula: C37H36N2O3S MolecularWeight: 588.75834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=C(C=CC(=C3)C4=CC=CC=C4)OC)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=C(C=CC(=C3)C4=CC=CC=C4)OC)SCC5=CC=CC=C5

InChI

InChI=1S/C37H36N2O3S/c1-40-33-19-14-28(15-20-33)25-39(26-29-16-21-34(41-2)22-17-29)37(43-27-30-10-6-4-7-11-30)38-35-24-32(18-23-36(35)42-3)31-12-8-5-9-13-31/h4-24H,25-27H2,1-3H3