3-bromanyl-4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-tert-butyl-N-(1-naphthylcarbamothioyl)benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(1-naphthalenylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-tert-butyl-N-(1-naphthylthiocarbamoyl)benzamide Formula: C22H21BrN2OS MolecularWeight: 441.38394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C22H21BrN2OS/c1-22(2,3)17-12-11-15(13-18(17)23)20(26)25-21(27)24-19-10-6-8-14-7-4-5-9-16(14)19/h4-13H,1-3H3,(H2,24,25,26,27)