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

Systemtic Name: 5-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O5S/c1-10(2)27-15-6-4-11(19)8-13(15)17(23)21-18(28)20-14-9-12(22(24)25)5-7-16(14)26-3/h4-10H,1-3H3,(H2,20,21,23,28)