2-morpholin-4-yl-5-nitro-N-[(2-oxidanylnaphthalen-1-yl)carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(2-oxidanylnaphthalen-1-yl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-1-naphthyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(2-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-hydroxy-1-naphthyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O5S/c27-19-8-5-14-3-1-2-4-16(14)20(19)23-22(32)24-21(28)17-13-15(26(29)30)6-7-18(17)25-9-11-31-12-10-25/h1-8,13,27H,9-12H2,(H2,23,24,28,32)