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

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

Isomeric SMILES

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

InChI

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