ethyl N'-(4-ethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: ethyl N'-(4-ethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-ethyl-3-(4-ethylphenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-ethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(4-ethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-ethyl-3-(4-ethylphenyl)-1,1-bis(p-anisyl)isothiourea Formula: C27H32N2O2S MolecularWeight: 448.62018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2S/c1-5-21-7-13-24(14-8-21)28-27(32-6-2)29(19-22-9-15-25(30-3)16-10-22)20-23-11-17-26(31-4)18-12-23/h7-18H,5-6,19-20H2,1-4H3