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

Systemtic Name: 2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-tert-butylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-tert-butylbenzyl)-(4-fluorobenzyl)amino]methyl]-N-hexyl-thiazole-4-carboxamide Formula: C29H38FN3OS MolecularWeight: 495.694923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38FN3OS/c1-5-6-7-8-17-31-28(34)26-21-35-27(32-26)20-33(19-23-11-15-25(30)16-12-23)18-22-9-13-24(14-10-22)29(2,3)4/h9-16,21H,5-8,17-20H2,1-4H3,(H,31,34)