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

Systemtic Name: butyl 4-[2-[2-[(4-methylpiperazin-1-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(4-methylpiperazine-1-carbonyl)amino]thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(4-methylpiperazine-1-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(4-methylpiperazine-1-carbonyl)amino]thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C22H29N5O4S MolecularWeight: 459.56176

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4S/c1-3-4-13-31-20(29)16-5-7-17(8-6-16)23-19(28)14-18-15-32-21(24-18)25-22(30)27-11-9-26(2)10-12-27/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,28)(H,24,25,30)