2-[(3-bromophenyl)carbamothioylamino]-N-tert-butyl-ethanamide

Systemtic Name: 2-[(3-bromophenyl)carbamothioylamino]-N-tert-butyl-ethanamide Openeye Name: 2-[(3-bromophenyl)carbamothioylamino]-N-tert-butyl-acetamide CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-N-tert-butylacetamide IUPAC Name: 2-[(3-bromophenyl)carbamothioylamino]-N-tert-butylacetamide Traditional Name: 2-[(3-bromophenyl)thiocarbamoylamino]-N-tert-butyl-acetamide Formula: C13H18BrN3OS MolecularWeight: 344.27052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=S)NC1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=S)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H18BrN3OS/c1-13(2,3)17-11(18)8-15-12(19)16-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H,17,18)(H2,15,16,19)