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

Systemtic Name: 3-bromanyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O4S/c1-11(2)10-27-17-7-5-13(8-15(17)20)18(24)22-19(28)21-16-9-14(23(25)26)6-4-12(16)3/h4-9,11H,10H2,1-3H3,(H2,21,22,24,28)