N-[[4-(diethylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(diethylamino)phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-4-23(5-2)16-10-8-15(9-11-16)21-20(29)22-19(25)14-7-12-18(28-6-3)17(13-14)24(26)27/h7-13H,4-6H2,1-3H3,(H2,21,22,25,29)