ethyl N-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]carbamate

Systemtic Name: ethyl N-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]carbamate Openeye Name: ethyl N-[[2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carbonyl]amino]carbamate CAS Name: N-[[oxo-[2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolyl]methyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]carbamate Traditional Name: N-[[2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carbonyl]amino]carbamic acid ethyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NNC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S/c1-2-29-21(28)24-23-19(27)17-14-30-20(22-17)16-10-12-25(13-11-16)18(26)9-8-15-6-4-3-5-7-15/h3-7,14,16H,2,10-13H2,1H3,(H,23,27)(H,24,28)