N-(1-benzothiophen-3-ylmethyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1-benzothiophen-3-ylmethyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(benzothiophen-3-ylmethyl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(1-benzothiophen-3-ylmethyl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(benzothiophen-3-ylmethyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C27H23N3O2S2 MolecularWeight: 485.62042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NCC3=CSC4=CC=CC=C43)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NCC3=CSC4=CC=CC=C43)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O2S2/c31-25(11-10-19-6-2-1-3-7-19)30-14-12-20(13-15-30)27-29-23(18-34-27)26(32)28-16-21-17-33-24-9-5-4-8-22(21)24/h1-9,17-18,20H,12-16H2,(H,28,32)