methyl N'-(2,5-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: methyl N'-(2,5-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea CAS Name: N'-(2,5-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2,5-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C26H30N2O2S/c1-19-6-7-20(2)25(16-19)27-26(31-5)28(17-21-8-12-23(29-3)13-9-21)18-22-10-14-24(30-4)15-11-22/h6-16H,17-18H2,1-5H3