4-morpholin-4-yl-3-nitro-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide Openeye Name: N-[(2-isopropylphenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[(2-propan-2-ylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-morpholino-3-nitro-N-(o-cumenylthiocarbamoyl)benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-14(2)16-5-3-4-6-17(16)22-21(30)23-20(26)15-7-8-18(19(13-15)25(27)28)24-9-11-29-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,26,30)