[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c28-22(16-5-6-18(19(13-16)27(29)30)26-12-9-23-14-26)25-10-7-15(8-11-25)21-24-17-3-1-2-4-20(17)31-21/h1-6,9,12-15H,7-8,10-11H2