3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(caproylamino)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-2-3-5-10-20(27)25-26-22(30)24-21(28)17-11-12-19(18(23)15-17)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)