5-bromanyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O4S/c1-10(2)26-16-7-5-12(19)8-14(16)17(23)21-18(27)20-15-9-13(22(24)25)6-4-11(15)3/h4-10H,1-3H3,(H2,20,21,23,27)