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

Systemtic Name: 3-bromanyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-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=C3)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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