N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]hexanamide

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]hexanamide Openeye Name: N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]hexanamide Formula: C19H21Br2N3O3S MolecularWeight: 531.26134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NNC(=O)COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br

Isomeric SMILES

CCCCCC(=O)NC(=S)NNC(=O)COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br

InChI

InChI=1S/C19H21Br2N3O3S/c1-2-3-4-5-16(25)22-19(28)24-23-17(26)11-27-15-9-6-12-10-13(20)7-8-14(12)18(15)21/h6-10H,2-5,11H2,1H3,(H,23,26)(H2,22,24,25,28)