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

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-5-isopropyl-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]-4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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