N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]pentanamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]valeramide Formula: C17H24N4O3S MolecularWeight: 364.46246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)CCC

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)CCC

InChI

InChI=1S/C17H24N4O3S/c1-3-5-7-15(23)19-17(25)21-20-16(24)12-8-10-13(11-9-12)18-14(22)6-4-2/h8-11H,3-7H2,1-2H3,(H,18,22)(H,20,24)(H2,19,21,23,25)