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

Systemtic Name: 5-bromanyl-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[(4-methyl-3-nitrophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[(4-methyl-3-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)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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