2-bromanyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H17BrN4O4S MolecularWeight: 465.32098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O4S/c19-14-4-2-1-3-13(14)17(24)21-18(28)20-12-5-6-15(16(11-12)23(25)26)22-7-9-27-10-8-22/h1-6,11H,7-10H2,(H2,20,21,24,28)