2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(3-bromoanilino)-sulfanylidenemethyl]-1-piperazinyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(3-bromophenyl)thiocarbamoyl]piperazino]-N-tert-butyl-acetamide Formula: C17H25BrN4OS MolecularWeight: 413.3756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H25BrN4OS/c1-17(2,3)20-15(23)12-21-7-9-22(10-8-21)16(24)19-14-6-4-5-13(18)11-14/h4-6,11H,7-10,12H2,1-3H3,(H,19,24)(H,20,23)