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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-5-isopropyl-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-13(2)14-3-6-19(26)17(11-14)22-21(31)23-20(27)16-12-15(25(28)29)4-5-18(16)24-7-9-30-10-8-24/h3-6,11-13,26H,7-10H2,1-2H3,(H2,22,23,27,31)