(phenylmethyl) N'-(2-ethyl-6-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: (phenylmethyl) N'-(2-ethyl-6-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-benzyl-3-(2-ethyl-6-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(2-ethyl-6-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(2-ethyl-6-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-benzyl-3-(2-ethyl-6-methyl-phenyl)-1,1-bis(p-anisyl)isothiourea Formula: C33H36N2O2S MolecularWeight: 524.71614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC4=CC=CC=C4)C

InChI

InChI=1S/C33H36N2O2S/c1-5-29-13-9-10-25(2)32(29)34-33(38-24-28-11-7-6-8-12-28)35(22-26-14-18-30(36-3)19-15-26)23-27-16-20-31(37-4)21-17-27/h6-21H,5,22-24H2,1-4H3