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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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