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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC

InChI

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