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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O4S/c1-19(2,3)13-7-5-11(9-14(13)20)17(24)22-18(28)21-15-10-12(23(25)26)6-8-16(15)27-4/h5-10H,1-4H3,(H2,21,22,24,28)