2-[[2-[[(2-fluorophenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[2-[[(2-fluorophenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-[[(2-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[2-[[[(2-fluorophenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[2-[[(2-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-propyl-thiazole-4-carboxamide Formula: C23H27FN4O2S MolecularWeight: 442.549483

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN2C=CC=C2CN(CCC)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN2C=CC=C2CN(CCC)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H27FN4O2S/c1-3-11-25-22(29)20-16-31-21(26-20)15-27-13-7-8-17(27)14-28(12-4-2)23(30)18-9-5-6-10-19(18)24/h5-10,13,16H,3-4,11-12,14-15H2,1-2H3,(H,25,29)