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

Systemtic Name: (phenylmethyl) N'-(4-ethanoylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(4-acetylphenyl)-2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(4-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(4-acetylphenyl)-2-benzyl-1,1-bis(p-anisyl)isothiourea Formula: C32H32N2O3S MolecularWeight: 524.67308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC4=CC=CC=C4

InChI

InChI=1S/C32H32N2O3S/c1-24(35)28-13-15-29(16-14-28)33-32(38-23-27-7-5-4-6-8-27)34(21-25-9-17-30(36-2)18-10-25)22-26-11-19-31(37-3)20-12-26/h4-20H,21-23H2,1-3H3