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

Systemtic Name: butyl 4-[2-[2-[(4-pyridin-2-ylpiperazin-1-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[[4-(2-pyridyl)piperazine-1-carbonyl]amino]thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[[4-(2-pyridyl)piperazine-1-carbonyl]amino]thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H30N6O4S/c1-2-3-16-36-24(34)19-7-9-20(10-8-19)28-23(33)17-21-18-37-25(29-21)30-26(35)32-14-12-31(13-15-32)22-6-4-5-11-27-22/h4-11,18H,2-3,12-17H2,1H3,(H,28,33)(H,29,30,35)