1-[4-(5-nitro-1-thiomorpholin-4-yl-isoquinolin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(5-nitro-1-thiomorpholin-4-yl-isoquinolin-3-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(5-nitro-1-thiomorpholino-3-isoquinolyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(5-nitro-1-thiomorpholin-4-yl-3-isoquinolinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(5-nitro-1-thiomorpholin-4-ylisoquinolin-3-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(5-nitro-1-thiomorpholino-3-isoquinolyl)piperazino]ethanone Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=C3C=CC=C(C3=C2)[N+](=O)[O-])N4CCSCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=C3C=CC=C(C3=C2)[N+](=O)[O-])N4CCSCC4

InChI

InChI=1S/C19H23N5O3S/c1-14(25)21-5-7-22(8-6-21)18-13-16-15(3-2-4-17(16)24(26)27)19(20-18)23-9-11-28-12-10-23/h2-4,13H,5-12H2,1H3