4-methyl-2-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[4-(4-methylpiperazino)-3-nitro-phenyl]thiazole-5-carboxylic acid Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H18N4O4S/c1-10-14(16(21)22)25-15(17-10)11-3-4-12(13(9-11)20(23)24)19-7-5-18(2)6-8-19/h3-4,9H,5-8H2,1-2H3,(H,21,22)