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

Systemtic Name: N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]hexanamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-2-3-5-13-19(25)24-21(28)23-17-10-8-9-16(14-17)22-20(26)15-27-18-11-6-4-7-12-18/h4,6-12,14H,2-3,5,13,15H2,1H3,(H,22,26)(H2,23,24,25,28)