methyl 4-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H21N5O5S/c1-12-16(17(25)28-2)29-18(19-12)20-15(24)11-21-7-9-22(10-8-21)13-3-5-14(6-4-13)23(26)27/h3-6H,7-11H2,1-2H3,(H,19,20,24)