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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN2C=CC=C2CN(CCC)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN2C=CC=C2CN(CCC)C(=O)C3=CC=C(C=C3)F

InChI

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