N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-methyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-methyl-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-methyl-thiazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-methyl-4-thiazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-methyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-fluorobenzyl)-homoveratryl-amino]methyl]-N-homoveratryl-N-methyl-thiazole-4-carboxamide Formula: C33H38FN3O5S MolecularWeight: 607.735323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CSC(=N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=CC=C(C=C4)F

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CSC(=N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C33H38FN3O5S/c1-36(16-14-23-8-12-28(39-2)30(18-23)41-4)33(38)27-22-43-32(35-27)21-37(20-25-6-10-26(34)11-7-25)17-15-24-9-13-29(40-3)31(19-24)42-5/h6-13,18-19,22H,14-17,20-21H2,1-5H3