[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-(4-morpholino-3-nitro-phenyl)methanone Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN5O4S/c23-16-2-3-17-20(14-16)33-22(24-17)27-7-5-26(6-8-27)21(29)15-1-4-18(19(13-15)28(30)31)25-9-11-32-12-10-25/h1-4,13-14H,5-12H2