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

Systemtic Name: 4-tert-butyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-22(2,3)16-6-4-15(5-7-16)20(27)24-21(31)23-17-8-9-18(19(14-17)26(28)29)25-10-12-30-13-11-25/h4-9,14H,10-13H2,1-3H3,(H2,23,24,27,31)