2-[4-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperazin-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazinyl]-N-butylacetamide IUPAC Name: 2-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N-butylacetamide Traditional Name: 2-[4-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperazino]-N-butyl-acetamide Formula: C21H29BrN4O2S MolecularWeight: 481.44956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)CC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)CC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H29BrN4O2S/c1-3-4-7-23-20(27)14-26-10-8-25(9-11-26)13-17-15-29-21(24-17)18-12-16(22)5-6-19(18)28-2/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,23,27)