N-(1,3-benzodioxol-5-yl)-N-ethyl-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-N-ethyl-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-N-ethyl-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-N-ethyl-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-N-ethyl-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-N-ethyl-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c1-2-30(21-9-10-23-24(16-21)34-18-33-23)27(32)22-17-35-26(28-22)20-12-14-29(15-13-20)25(31)11-8-19-6-4-3-5-7-19/h3-7,9-10,16-17,20H,2,12-15,18H2,1H3