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

Systemtic Name: (phenylmethyl) N'-(4-dimethylaminophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-benzyl-3-(4-dimethylaminophenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-dimethylaminophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(4-dimethylaminophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-benzyl-3-(4-dimethylaminophenyl)-1,1-bis(p-anisyl)isothiourea Formula: C32H35N3O2S MolecularWeight: 525.7042

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Descriptors Computed from Structure

Canonical SMILES:

CN(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

CN(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/C32H35N3O2S/c1-34(2)29-16-14-28(15-17-29)33-32(38-24-27-8-6-5-7-9-27)35(22-25-10-18-30(36-3)19-11-25)23-26-12-20-31(37-4)21-13-26/h5-21H,22-24H2,1-4H3