2-[(3-chloranyl-4-fluoranyl-phenyl)carbonylamino]-N-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbonylamino]-N-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3-chloro-4-fluoro-benzoyl)amino]-N-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: 2-[[(3-chloro-4-fluorophenyl)-oxomethyl]amino]-N-[1-(1H-pyrrol-2-ylmethyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3-chloro-4-fluorobenzoyl)amino]-N-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3-chloro-4-fluoro-benzoyl)amino]-N-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]thiazole-4-carboxamide Formula: C21H21ClFN5O2S MolecularWeight: 461.940143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)F)Cl)CC4=CC=CN4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)F)Cl)CC4=CC=CN4

InChI

InChI=1S/C21H21ClFN5O2S/c22-16-10-13(3-4-17(16)23)19(29)27-21-26-18(12-31-21)20(30)25-14-5-8-28(9-6-14)11-15-2-1-7-24-15/h1-4,7,10,12,14,24H,5-6,8-9,11H2,(H,25,30)(H,26,27,29)