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

Systemtic Name: methyl N'-(3-ethanoylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(3-acetylphenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea CAS Name: N'-(3-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(3-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(3-acetylphenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3S/c1-19(29)22-6-5-7-23(16-22)27-26(32-4)28(17-20-8-12-24(30-2)13-9-20)18-21-10-14-25(31-3)15-11-21/h5-16H,17-18H2,1-4H3