N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]hexanamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]hexanamide Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2S/c1-3-5-6-7-15(22)20-16(23)19-13-10-11(8-9-12(13)17)18-14(21)4-2/h8-10H,3-7H2,1-2H3,(H,18,21)(H2,19,20,22,23)