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

Systemtic Name: N-[(3,5-dimethylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(3,5-dimethylphenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(3,5-dimethylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3,5-dimethylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3,5-dimethylphenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

InChI

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