N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]hexanamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2S/c1-2-3-5-10-20(26)25-22(28)24-19-14-12-18(13-15-19)23-21(27)16-11-17-8-6-4-7-9-17/h4,6-9,12-15H,2-3,5,10-11,16H2,1H3,(H,23,27)(H2,24,25,26,28)