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

Systemtic Name: methyl 3-[[2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[2-[1-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate Traditional Name: 3-[[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C27H30N6O4S MolecularWeight: 534.6299

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H30N6O4S/c1-37-26(35)20-5-4-6-21(17-20)29-24(34)22-18-38-25(30-22)19-8-11-32(12-9-19)27(36)33-15-13-31(14-16-33)23-7-2-3-10-28-23/h2-7,10,17-19H,8-9,11-16H2,1H3,(H,29,34)