(phenylmethyl) N'-(2-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: (phenylmethyl) N'-(2-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-benzyl-3-(2-cyanophenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(2-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(2-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-benzyl-3-(2-cyanophenyl)-1,1-bis(p-anisyl)isothiourea Formula: C31H29N3O2S MolecularWeight: 507.64586

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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=C3C#N)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=CC=C3C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C31H29N3O2S/c1-35-28-16-12-24(13-17-28)21-34(22-25-14-18-29(36-2)19-15-25)31(37-23-26-8-4-3-5-9-26)33-30-11-7-6-10-27(30)20-32/h3-19H,21-23H2,1-2H3