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

Systemtic Name: (phenylmethyl) N'-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-benzyl-3-(4-bromophenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-benzyl-3-(4-bromophenyl)-1,1-bis(p-anisyl)isothiourea Formula: C30H29BrN2O2S MolecularWeight: 561.53246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29BrN2O2S/c1-34-28-16-8-23(9-17-28)20-33(21-24-10-18-29(35-2)19-11-24)30(32-27-14-12-26(31)13-15-27)36-22-25-6-4-3-5-7-25/h3-19H,20-22H2,1-2H3