N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-hydroxy-3,5-dimethyl-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-hydroxy-3,5-dimethylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-hydroxy-3,5-dimethyl-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)O)C

InChI

InChI=1S/C20H22N4O5S/c1-12-9-13(2)18(25)16(10-12)21-20(30)22-19(26)15-11-14(24(27)28)3-4-17(15)23-5-7-29-8-6-23/h3-4,9-11,25H,5-8H2,1-2H3,(H2,21,22,26,30)