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

Systemtic Name: N-[(5-tert-butyl-2-oxidanyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(5-tert-butyl-2-hydroxy-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(5-tert-butyl-2-hydroxyanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(5-tert-butyl-2-hydroxy-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-22(2,3)15-5-7-19(27)16(13-15)23-21(32)24-20(28)14-4-6-17(18(12-14)26(29)30)25-8-10-31-11-9-25/h4-7,12-13,27H,8-11H2,1-3H3,(H2,23,24,28,32)