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

Systemtic Name: (phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenylazanylphenyl)carbamimidothioate Openeye Name: 3-(4-anilinophenyl)-2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-anilinophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(4-anilinophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(4-anilinophenyl)-2-benzyl-1,1-bis(p-anisyl)isothiourea Formula: C36H35N3O2S MolecularWeight: 573.747

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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=C(C=C3)NC4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)NC4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C36H35N3O2S/c1-40-34-21-13-28(14-22-34)25-39(26-29-15-23-35(41-2)24-16-29)36(42-27-30-9-5-3-6-10-30)38-33-19-17-32(18-20-33)37-31-11-7-4-8-12-31/h3-24,37H,25-27H2,1-2H3