ethyl 4-[[3-(2-methylpiperazin-1-yl)-2-nitro-phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[[3-(2-methylpiperazin-1-yl)-2-nitro-phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[3-(2-methylpiperazin-1-yl)-2-nitro-phenyl]methylamino]-2-(4-pyridyl)thiazole-5-carboxylate CAS Name: 4-[[3-(2-methyl-1-piperazinyl)-2-nitrophenyl]methylamino]-2-pyridin-4-yl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-methylpiperazin-1-yl)-2-nitrophenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[3-(2-methylpiperazino)-2-nitro-benzyl]amino]-2-(4-pyridyl)thiazole-5-carboxylic acid ethyl ester Formula: C23H26N6O4S MolecularWeight: 482.55534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C(=CC=C3)N4CCNCC4C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C(=CC=C3)N4CCNCC4C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O4S/c1-3-33-23(30)20-21(27-22(34-20)16-7-9-24-10-8-16)26-14-17-5-4-6-18(19(17)29(31)32)28-12-11-25-13-15(28)2/h4-10,15,25-26H,3,11-14H2,1-2H3