4-methoxy-3-nitro-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[4-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[[4-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C23H20N4O5S MolecularWeight: 464.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S/c1-32-20-12-7-16(14-19(20)27(30)31)22(29)26-23(33)25-18-10-8-17(9-11-18)24-21(28)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,28)(H2,25,26,29,33)