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

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]valeramide Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O3S/c1-2-3-4-12(19)16-14(22)18-17-13(20)9-21-11-7-5-10(15)6-8-11/h5-8H,2-4,9H2,1H3,(H,17,20)(H2,16,18,19,22)