(phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)carbamimidothioate Openeye Name: 2-benzyl-3-(4-isopropylphenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)carbamimidothioate Traditional Name: 2-benzyl-1,1-bis(p-anisyl)-3-p-cumenyl-isothiourea Formula: C33H36N2O2S MolecularWeight: 524.71614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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(C)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/C33H36N2O2S/c1-25(2)29-14-16-30(17-15-29)34-33(38-24-28-8-6-5-7-9-28)35(22-26-10-18-31(36-3)19-11-26)23-27-12-20-32(37-4)21-13-27/h5-21,25H,22-24H2,1-4H3