4-morpholin-4-yl-3-nitro-N-[(6-oxidanylnaphthalen-1-yl)carbamothioyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(6-oxidanylnaphthalen-1-yl)carbamothioyl]benzamide Openeye Name: N-[(6-hydroxy-1-naphthyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(6-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(6-hydroxy-1-naphthyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC(=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC(=C4)O)[N+](=O)[O-]

InChI

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