ethyl N'-(2-butan-2-ylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC

Isomeric SMILES

CCC(C)C1=CC=CC=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC

InChI

InChI=1S/C29H36N2O2S/c1-6-22(3)27-10-8-9-11-28(27)30-29(34-7-2)31(20-23-12-16-25(32-4)17-13-23)21-24-14-18-26(33-5)19-15-24/h8-19,22H,6-7,20-21H2,1-5H3