4-morpholin-4-yl-3-nitro-N-[(5-oxidanylnaphthalen-1-yl)carbamothioyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(5-oxidanylnaphthalen-1-yl)carbamothioyl]benzamide Openeye Name: N-[(5-hydroxy-1-naphthyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(5-hydroxy-1-naphthyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C22H20N4O5S MolecularWeight: 452.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=C4O)[N+](=O)[O-]

InChI

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