butyl 4-[2-[2-(pyrazin-2-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-(pyrazin-2-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(pyrazine-2-carbonylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo(2-pyrazinyl)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(pyrazine-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(pyrazinoylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c1-2-3-10-30-20(29)14-4-6-15(7-5-14)24-18(27)11-16-13-31-21(25-16)26-19(28)17-12-22-8-9-23-17/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,27)(H,25,26,28)