2-morpholin-4-yl-N-(naphthalen-1-ylcarbamothioyl)-5-nitro-benzamide

Systemtic Name: 2-morpholin-4-yl-N-(naphthalen-1-ylcarbamothioyl)-5-nitro-benzamide Openeye Name: 2-morpholino-N-(1-naphthylcarbamothioyl)-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-N-[(1-naphthalenylamino)-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-morpholin-4-yl-N-(naphthalen-1-ylcarbamothioyl)-5-nitrobenzamide Traditional Name: 2-morpholino-N-(1-naphthylthiocarbamoyl)-5-nitro-benzamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O4S/c27-21(24-22(31)23-19-7-3-5-15-4-1-2-6-17(15)19)18-14-16(26(28)29)8-9-20(18)25-10-12-30-13-11-25/h1-9,14H,10-13H2,(H2,23,24,27,31)