N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]hexanamide

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]hexanamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]hexanamide Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

InChI

InChI=1S/C19H28N4O3S/c1-4-5-6-7-16(24)21-19(27)23-22-18(26)14-8-10-15(11-9-14)20-17(25)12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,20,25)(H,22,26)(H2,21,23,24,27)