N-[(3-ethanoylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(3-ethanoylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c1-13(25)14-3-2-4-15(11-14)21-20(30)22-19(26)17-12-16(24(27)28)5-6-18(17)23-7-9-29-10-8-23/h2-6,11-12H,7-10H2,1H3,(H2,21,22,26,30)