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

Systemtic Name: ethyl N'-(3-ethanoylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(3-acetylphenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(3-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(3-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(3-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=CC(=C1)C(=O)C)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCSC(=NC1=CC=CC(=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(28-24-8-6-7-23(17-24)20(2)30)29(18-21-9-13-25(31-3)14-10-21)19-22-11-15-26(32-4)16-12-22/h6-17H,5,18-19H2,1-4H3