2-tert-butyl-6-nitro-5-(4-phenylpiperazin-1-yl)-1,3-benzothiazole

Systemtic Name: 2-tert-butyl-6-nitro-5-(4-phenylpiperazin-1-yl)-1,3-benzothiazole Openeye Name: 2-tert-butyl-6-nitro-5-(4-phenylpiperazin-1-yl)-1,3-benzothiazole CAS Name: 2-tert-butyl-6-nitro-5-(4-phenyl-1-piperazinyl)-1,3-benzothiazole IUPAC Name: 2-tert-butyl-6-nitro-5-(4-phenylpiperazin-1-yl)-1,3-benzothiazole Traditional Name: 2-tert-butyl-6-nitro-5-(4-phenylpiperazino)-1,3-benzothiazole Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-21(2,3)20-22-16-13-17(18(25(26)27)14-19(16)28-20)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3