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

Systemtic Name: (phenylmethyl) N'-(3-ethanoylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(3-acetylphenyl)-2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(3-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(3-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(3-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(=CC=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(=CC=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)28-10-7-11-29(20-28)33-32(38-23-27-8-5-4-6-9-27)34(21-25-12-16-30(36-2)17-13-25)22-26-14-18-31(37-3)19-15-26/h4-20H,21-23H2,1-3H3