N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2S/c1-17-14-21-22(15-18(17)2)30-27(29-21)31-25(34)23-16-35-26(28-23)20-10-12-32(13-11-20)24(33)9-8-19-6-4-3-5-7-19/h3-7,14-16,20H,10-13H2,1-2H3,(H2,29,30,31,34)