N-[[(2-bromophenyl)carbonylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[(2-bromophenyl)carbonylamino]carbamothioyl]pentanamide Openeye Name: N-[[(2-bromobenzoyl)amino]carbamothioyl]pentanamide CAS Name: N-[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[(2-bromobenzoyl)amino]carbamothioyl]pentanamide Traditional Name: N-[[(2-bromobenzoyl)amino]thiocarbamoyl]valeramide Formula: C13H16BrN3O2S MolecularWeight: 358.25404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C13H16BrN3O2S/c1-2-3-8-11(18)15-13(20)17-16-12(19)9-6-4-5-7-10(9)14/h4-7H,2-3,8H2,1H3,(H,16,19)(H2,15,17,18,20)