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

Systemtic Name: butyl 4-[2-[2-[(4-ethanoylpiperazin-1-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(4-acetylpiperazine-1-carbonyl)amino]thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[[(4-acetyl-1-piperazinyl)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(4-acetylpiperazine-1-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(4-acetylpiperazine-1-carbonyl)amino]thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C23H29N5O5S MolecularWeight: 487.57186

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O5S/c1-3-4-13-33-21(31)17-5-7-18(8-6-17)24-20(30)14-19-15-34-22(25-19)26-23(32)28-11-9-27(10-12-28)16(2)29/h5-8,15H,3-4,9-14H2,1-2H3,(H,24,30)(H,25,26,32)