4-morpholin-4-yl-N-(naphthalen-1-ylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: 4-morpholin-4-yl-N-(naphthalen-1-ylcarbamothioyl)-3-nitro-benzamide Openeye Name: 4-morpholino-N-(1-naphthylcarbamothioyl)-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[(1-naphthalenylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-(naphthalen-1-ylcarbamothioyl)-3-nitrobenzamide Traditional Name: 4-morpholino-N-(1-naphthylthiocarbamoyl)-3-nitro-benzamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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