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

Systemtic Name: butyl 4-[2-[2-(pyridin-3-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(3-pyridylmethylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo-(3-pyridinylmethylamino)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(pyridin-3-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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