methyl N'-(2-ethyl-6-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: methyl N'-(2-ethyl-6-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(2-ethyl-6-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea CAS Name: N'-(2-ethyl-6-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-ethyl-6-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(2-ethyl-6-methyl-phenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC)C

Isomeric SMILES

CCC1=CC=CC(=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC)C

InChI

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