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

Systemtic Name: 2-iodanyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-iodo-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 2-iodo-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2-iodo-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C22H24IN5O4S MolecularWeight: 581.42653

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC=CC=C4I

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C22H24IN5O4S/c23-18-4-2-1-3-17(18)21(29)24-22(33)27-9-7-25(8-10-27)16-5-6-19(28(30)31)20(15-16)26-11-13-32-14-12-26/h1-6,15H,7-14H2,(H,24,29,33)