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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]hexanamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]hexanamide Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-3-5-6-8-16(24)20-18(26)22-21-17(25)13-9-11-14(12-10-13)19-15(23)7-4-2/h9-12H,3-8H2,1-2H3,(H,19,23)(H,21,25)(H2,20,22,24,26)