ethyl N'-(2,3-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=CC(=C1C)C)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCSC(=NC1=CC=CC(=C1C)C)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC

InChI

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