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

Systemtic Name: methyl 3-methyl-4-[[2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-methyl-4-[[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]amino]benzoate CAS Name: 3-methyl-4-[[oxo-[2-[1-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate Traditional Name: 3-methyl-4-[[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C28H32N6O4S MolecularWeight: 548.65648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H32N6O4S/c1-19-17-21(27(36)38-2)6-7-22(19)30-25(35)23-18-39-26(31-23)20-8-11-33(12-9-20)28(37)34-15-13-32(14-16-34)24-5-3-4-10-29-24/h3-7,10,17-18,20H,8-9,11-16H2,1-2H3,(H,30,35)