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

Systemtic Name: N-butan-2-yl-2-[[2-[[(4-fluorophenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-[[(4-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-sec-butyl-thiazole-4-carboxamide CAS Name: N-butan-2-yl-2-[[2-[[[(4-fluorophenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-butan-2-yl-2-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[2-[[(4-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-sec-butyl-thiazole-4-carboxamide Formula: C24H29FN4O2S MolecularWeight: 456.576063

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NC(C)CC)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NC(C)CC)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H29FN4O2S/c1-4-12-29(24(31)18-8-10-19(25)11-9-18)14-20-7-6-13-28(20)15-22-27-21(16-32-22)23(30)26-17(3)5-2/h6-11,13,16-17H,4-5,12,14-15H2,1-3H3,(H,26,30)