N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoyl]hexanamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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