ethyl N'-(5-chloranyl-2-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: ethyl N'-(5-chloranyl-2-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(5-chloro-2-methyl-phenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(5-chloro-2-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(5-chloro-2-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(5-chloro-2-methyl-phenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea Formula: C26H29ClN2O2S MolecularWeight: 469.03866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O2S/c1-5-32-26(28-25-16-22(27)11-6-19(25)2)29(17-20-7-12-23(30-3)13-8-20)18-21-9-14-24(31-4)15-10-21/h6-16H,5,17-18H2,1-4H3