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

Systemtic Name: (phenylmethyl) N'-(2-ethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-benzyl-3-(2-ethylphenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(2-ethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(2-ethylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-benzyl-3-(2-ethylphenyl)-1,1-bis(p-anisyl)isothiourea Formula: C32H34N2O2S MolecularWeight: 510.68956

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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

Isomeric SMILES

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

InChI

InChI=1S/C32H34N2O2S/c1-4-28-12-8-9-13-31(28)33-32(37-24-27-10-6-5-7-11-27)34(22-25-14-18-29(35-2)19-15-25)23-26-16-20-30(36-3)21-17-26/h5-21H,4,22-24H2,1-3H3