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

Systemtic Name: N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]octanamide CAS Name: N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]octanamide Traditional Name: N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]caprylamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O2S/c1-2-3-4-5-9-15-21(27)26-23(29)25-20-14-10-13-19(17-20)24-22(28)16-18-11-7-6-8-12-18/h6-8,10-14,17H,2-5,9,15-16H2,1H3,(H,24,28)(H2,25,26,27,29)