2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[(4-tert-butylbenzyl)-(4-fluorobenzyl)amino]methyl]thiazole-4-carboxamide Formula: C28H36FN3OS MolecularWeight: 481.668343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CSC(=N1)CN(CC2=CC=C(C=C2)C(C)(C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCNC(=O)C1=CSC(=N1)CN(CC2=CC=C(C=C2)C(C)(C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C28H36FN3OS/c1-5-6-7-16-30-27(33)25-20-34-26(31-25)19-32(18-22-10-14-24(29)15-11-22)17-21-8-12-23(13-9-21)28(2,3)4/h8-15,20H,5-7,16-19H2,1-4H3,(H,30,33)