3-bromanyl-4-tert-butyl-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S/c1-11-9-13(23(25)26)6-8-16(11)21-18(27)22-17(24)12-5-7-14(15(20)10-12)19(2,3)4/h5-10H,1-4H3,(H2,21,22,24,27)