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

Systemtic Name: ethyl N'-(4-ethanoylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(4-acetylphenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(4-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(4-acetylphenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=C(C=C1)C(=O)C)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCSC(=NC1=CC=C(C=C1)C(=O)C)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H30N2O3S/c1-5-33-27(28-24-12-10-23(11-13-24)20(2)30)29(18-21-6-14-25(31-3)15-7-21)19-22-8-16-26(32-4)17-9-22/h6-17H,5,18-19H2,1-4H3