N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]hexanamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-3-4-5-10-20(27)26-22(30)25-17-13-11-16(12-14-17)24-21(28)15(2)29-19-9-7-6-8-18(19)23/h6-9,11-15H,3-5,10H2,1-2H3,(H,24,28)(H2,25,26,27,30)