N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-4-morpholino-3-nitro-benzamide Formula: C22H23ClN6O6S MolecularWeight: 534.97262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN6O6S/c23-16-2-1-3-18(28(31)32)20(16)26-6-8-27(9-7-26)22(36)24-21(30)15-4-5-17(19(14-15)29(33)34)25-10-12-35-13-11-25/h1-5,14H,6-13H2,(H,24,30,36)