5-bromanyl-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(4-methyl-3-nitrophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C23H20BrN3O4S MolecularWeight: 514.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20BrN3O4S/c1-15-7-9-18(14-20(15)27(29)30)25-23(32)26-22(28)19-13-17(24)8-10-21(19)31-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H2,25,26,28,32)