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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=CC=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC4=CC=CC=C4

InChI

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