N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]hexanamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC(=CC=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC(=CC=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S/c1-2-3-5-15-21(25)24-22(27)23-19-13-8-14-20(17-19)26-16-9-12-18-10-6-4-7-11-18/h4,6-8,10-11,13-14,17H,2-3,5,9,12,15-16H2,1H3,(H2,23,24,25,27)