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

Systemtic Name: butyl 4-[2-[2-(2-phenylethanoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(2-phenylacetyl)amino]thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[(1-oxo-2-phenylethyl)amino]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(2-phenylacetyl)amino]thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-2-3-13-31-23(30)18-9-11-19(12-10-18)25-22(29)15-20-16-32-24(26-20)27-21(28)14-17-7-5-4-6-8-17/h4-12,16H,2-3,13-15H2,1H3,(H,25,29)(H,26,27,28)