N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylethanamide

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylethanamide Openeye Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acetamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acetamide Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H23N5O4S/c1-13(23)18-17(27)21-6-4-19(5-7-21)14-2-3-15(22(24)25)16(12-14)20-8-10-26-11-9-20/h2-3,12H,4-11H2,1H3,(H,18,23,27)