N-(5-aminocarbonyl-2-chloranyl-phenyl)-2-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5-aminocarbonyl-2-chloranyl-phenyl)-2-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(5-carbamoyl-2-chloro-phenyl)-2-[1-(2-pyrimidin-2-ylsulfanylacetyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(5-carbamoyl-2-chlorophenyl)-2-[1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(5-carbamoyl-2-chlorophenyl)-2-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(5-carbamoyl-2-chloro-phenyl)-2-[1-[2-(2-pyrimidylthio)acetyl]-4-piperidyl]thiazole-4-carboxamide Formula: C22H21ClN6O3S2 MolecularWeight: 517.02354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C22H21ClN6O3S2/c23-15-3-2-14(19(24)31)10-16(15)27-20(32)17-11-33-21(28-17)13-4-8-29(9-5-13)18(30)12-34-22-25-6-1-7-26-22/h1-3,6-7,10-11,13H,4-5,8-9,12H2,(H2,24,31)(H,27,32)