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

Systemtic Name: (phenylmethyl) N'-(4-butylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-benzyl-3-(4-butylphenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-butylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(4-butylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-benzyl-3-(4-butylphenyl)-1,1-bis(p-anisyl)isothiourea Formula: C34H38N2O2S MolecularWeight: 538.74272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C34H38N2O2S/c1-4-5-9-27-12-18-31(19-13-27)35-34(39-26-30-10-7-6-8-11-30)36(24-28-14-20-32(37-2)21-15-28)25-29-16-22-33(38-3)23-17-29/h6-8,10-23H,4-5,9,24-26H2,1-3H3