N-(1,3-benzothiazol-2-yl)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-ethyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-ethyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-N-ethyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-N-ethylacetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-ethylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chloro-2-nitro-phenyl)piperazino]-N-ethyl-acetamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O3S/c1-2-26(21-23-16-5-3-4-6-19(16)31-21)20(28)14-24-9-11-25(12-10-24)17-8-7-15(22)13-18(17)27(29)30/h3-8,13H,2,9-12,14H2,1H3