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

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[2-(1-piperidyl)ethyl]thiazole-4-carboxamide CAS Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[2-(1-piperidinyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-fluorobenzyl)-homoveratryl-amino]methyl]-N-(2-piperidinoethyl)thiazole-4-carboxamide Formula: C29H37FN4O3S MolecularWeight: 540.692483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)NCCN4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)NCCN4CCCCC4)OC

InChI

InChI=1S/C29H37FN4O3S/c1-36-26-11-8-22(18-27(26)37-2)12-16-34(19-23-6-9-24(30)10-7-23)20-28-32-25(21-38-28)29(35)31-13-17-33-14-4-3-5-15-33/h6-11,18,21H,3-5,12-17,19-20H2,1-2H3,(H,31,35)