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

Systemtic Name: N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]octanamide CAS Name: N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]octanamide Traditional Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]caprylamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-2-3-4-5-9-15-21(27)26-23(30)25-19-12-10-11-18(16-19)24-22(28)17-29-20-13-7-6-8-14-20/h6-8,10-14,16H,2-5,9,15,17H2,1H3,(H,24,28)(H2,25,26,27,30)