N-[(3-chloranyl-4-methyl-phenyl)methyl]-2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)methyl]-2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(3-chloro-4-methyl-phenyl)methyl]-2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-2-[1-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(3-chloro-4-methylphenyl)methyl]-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(3-chloro-4-methyl-benzyl)-2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carboxamide Formula: C27H31ClN6O2S MolecularWeight: 539.09204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5)Cl

InChI

InChI=1S/C27H31ClN6O2S/c1-19-5-6-20(16-22(19)28)17-30-25(35)23-18-37-26(31-23)21-7-10-33(11-8-21)27(36)34-14-12-32(13-15-34)24-4-2-3-9-29-24/h2-6,9,16,18,21H,7-8,10-15,17H2,1H3,(H,30,35)