5-bromanyl-N-[(butanoylamino)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(butanoylamino)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-(butyramidothiocarbamoyl)-2-hexoxy-benzamide Formula: C18H26BrN3O3S MolecularWeight: 444.38634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC

InChI

InChI=1S/C18H26BrN3O3S/c1-3-5-6-7-11-25-15-10-9-13(19)12-14(15)17(24)20-18(26)22-21-16(23)8-4-2/h9-10,12H,3-8,11H2,1-2H3,(H,21,23)(H2,20,22,24,26)