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

Systemtic Name: N-[(4-dimethylaminophenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(4-dimethylaminophenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(4-dimethylaminophenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(4-dimethylaminophenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H23N5O4S MolecularWeight: 429.49272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4S/c1-23(2)16-6-4-15(5-7-16)21-20(30)22-19(26)14-3-8-17(18(13-14)25(27)28)24-9-11-29-12-10-24/h3-8,13H,9-12H2,1-2H3,(H2,21,22,26,30)