N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]valeramide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br

InChI

InChI=1S/C18H20BrN3O3S/c1-2-3-8-15(23)20-18(26)22-21-16(24)11-25-14-10-9-12-6-4-5-7-13(12)17(14)19/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,24)(H2,20,22,23,26)