methyl N'-(4-ethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC

Isomeric SMILES

CCC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC

InChI

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