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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-tert-butyl-benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-18(2,3)12-6-4-11(5-7-12)16(23)21-17(26)20-15-9-8-13(22(24)25)10-14(15)19/h4-10H,1-3H3,(H2,20,21,23,26)