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

Systemtic Name: ethyl N'-(3,4-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(3,4-dimethylphenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(3,4-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(3,4-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(3,4-dimethylphenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2S/c1-6-32-27(28-24-12-7-20(2)21(3)17-24)29(18-22-8-13-25(30-4)14-9-22)19-23-10-15-26(31-5)16-11-23/h7-17H,6,18-19H2,1-5H3