ethyl 3-[[2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]butanoate

Systemtic Name: ethyl 3-[[2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]butanoate Openeye Name: ethyl 3-[[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]amino]butanoate CAS Name: 3-[[oxo-[2-[1-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate Traditional Name: 3-[[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]amino]butyric acid ethyl ester Formula: C25H34N6O4S MolecularWeight: 514.64026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CC(C)NC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H34N6O4S/c1-3-35-22(32)16-18(2)27-23(33)20-17-36-24(28-20)19-7-10-30(11-8-19)25(34)31-14-12-29(13-15-31)21-6-4-5-9-26-21/h4-6,9,17-19H,3,7-8,10-16H2,1-2H3,(H,27,33)