3-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O5S/c1-11(2)10-28-16-6-4-12(8-14(16)20)18(24)22-19(29)21-15-9-13(23(25)26)5-7-17(15)27-3/h4-9,11H,10H2,1-3H3,(H2,21,22,24,29)