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

Systemtic Name: ethyl N'-(2-ethyl-6-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-ethyl-3-(2-ethyl-6-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(2-ethyl-6-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(2-ethyl-6-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-ethyl-3-(2-ethyl-6-methyl-phenyl)-1,1-bis(p-anisyl)isothiourea Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC)C

Isomeric SMILES

CCC1=CC=CC(=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC)C

InChI

InChI=1S/C28H34N2O2S/c1-6-24-10-8-9-21(3)27(24)29-28(33-7-2)30(19-22-11-15-25(31-4)16-12-22)20-23-13-17-26(32-5)18-14-23/h8-18H,6-7,19-20H2,1-5H3