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

Systemtic Name: 4-morpholin-4-yl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-morpholino-N-[(4-morpholinophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-morpholino-N-[(4-morpholinophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C22H25N5O5S MolecularWeight: 471.5294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c28-21(16-1-6-19(20(15-16)27(29)30)26-9-13-32-14-10-26)24-22(33)23-17-2-4-18(5-3-17)25-7-11-31-12-8-25/h1-6,15H,7-14H2,(H2,23,24,28,33)