ethyl N'-(2,6-diethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: ethyl N'-(2,6-diethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(2,6-diethylphenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(2,6-diethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(2,6-diethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(2,6-diethylphenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea Formula: C29H36N2O2S MolecularWeight: 476.67334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC

InChI

InChI=1S/C29H36N2O2S/c1-6-24-10-9-11-25(7-2)28(24)30-29(34-8-3)31(20-22-12-16-26(32-4)17-13-22)21-23-14-18-27(33-5)19-15-23/h9-19H,6-8,20-21H2,1-5H3