N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(2-phenoxyethoxy)phenyl]thiocarbamoyl]hexanamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)OCCOC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)OCCOC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-2-3-5-10-20(24)23-21(27)22-17-11-13-19(14-12-17)26-16-15-25-18-8-6-4-7-9-18/h4,6-9,11-14H,2-3,5,10,15-16H2,1H3,(H2,22,23,24,27)