N-[4-(propanoylcarbamothioylamino)phenyl]hexanamide

Systemtic Name: N-[4-(propanoylcarbamothioylamino)phenyl]hexanamide Openeye Name: N-[4-(propanoylcarbamothioylamino)phenyl]hexanamide CAS Name: N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]hexanamide IUPAC Name: N-[4-(propanoylcarbamothioylamino)phenyl]hexanamide Traditional Name: N-[4-(propionylthiocarbamoylamino)phenyl]hexanamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC

InChI

InChI=1S/C16H23N3O2S/c1-3-5-6-7-15(21)17-12-8-10-13(11-9-12)18-16(22)19-14(20)4-2/h8-11H,3-7H2,1-2H3,(H,17,21)(H2,18,19,20,22)