5-bromanyl-N-[(hexanoylamino)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(hexanoylamino)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(caproylamino)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H26BrN3O3S/c1-2-3-5-10-20(27)25-26-22(30)24-21(28)18-15-17(23)11-12-19(18)29-14-13-16-8-6-4-7-9-16/h4,6-9,11-12,15H,2-3,5,10,13-14H2,1H3,(H,25,27)(H2,24,26,28,30)