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

Systemtic Name: N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]valeramide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-2-3-12-18(24)23-20(27)22-16-9-7-8-15(13-16)21-19(25)14-26-17-10-5-4-6-11-17/h4-11,13H,2-3,12,14H2,1H3,(H,21,25)(H2,22,23,24,27)