N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoyl]valeramide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

InChI

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