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

Systemtic Name: (phenylmethyl) N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-benzyl-3-(4-cyanophenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-benzyl-3-(4-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=C(C=C3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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