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

Systemtic Name: 2-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-morpholino-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-morpholino-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]-5-nitro-benzamide Formula: C23H27N5O5S MolecularWeight: 485.55598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C23H27N5O5S/c29-22(20-15-19(28(30)31)5-6-21(20)27-9-13-33-14-10-27)25-23(34)24-18-3-1-17(2-4-18)16-26-7-11-32-12-8-26/h1-6,15H,7-14,16H2,(H2,24,25,29,34)