methyl N'-(2,3-dimethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

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

Isomeric SMILES

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

InChI

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