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

Systemtic Name: 2-[[2-[[(2-fluorophenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-[[(2-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[[2-[[[(2-fluorophenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[2-[[(2-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C28H29FN4O2S MolecularWeight: 504.618863

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C28H29FN4O2S/c1-2-16-33(28(35)23-12-6-7-13-24(23)29)18-22-11-8-17-32(22)19-26-31-25(20-36-26)27(34)30-15-14-21-9-4-3-5-10-21/h3-13,17,20H,2,14-16,18-19H2,1H3,(H,30,34)