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

Systemtic Name: butyl 4-[2-[2-(pyridin-4-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(4-pyridylmethylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(pyridin-4-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(4-pyridylmethylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C23H25N5O4S/c1-2-3-12-32-21(30)17-4-6-18(7-5-17)26-20(29)13-19-15-33-23(27-19)28-22(31)25-14-16-8-10-24-11-9-16/h4-11,15H,2-3,12-14H2,1H3,(H,26,29)(H2,25,27,28,31)