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

Systemtic Name: 5-bromanyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-isopropoxy-benzamide Formula: C17H16BrN3O5S MolecularWeight: 454.29504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H16BrN3O5S/c1-9(2)26-15-6-3-10(18)7-12(15)16(23)20-17(27)19-13-8-11(21(24)25)4-5-14(13)22/h3-9,22H,1-2H3,(H2,19,20,23,27)