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

Systemtic Name: N-[(4-ethylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4-ethylphenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(4-ethylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-ethylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4-ethylphenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H22N4O4S/c1-2-14-3-5-15(6-4-14)21-20(29)22-19(25)17-13-16(24(26)27)7-8-18(17)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H2,21,22,25,29)