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

Systemtic Name: 5-bromanyl-N-[(butanoylamino)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-(butyramidothiocarbamoyl)-2-isobutoxy-benzamide Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCC(C)C

Isomeric SMILES

CCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCC(C)C

InChI

InChI=1S/C16H22BrN3O3S/c1-4-5-14(21)19-20-16(24)18-15(22)12-8-11(17)6-7-13(12)23-9-10(2)3/h6-8,10H,4-5,9H2,1-3H3,(H,19,21)(H2,18,20,22,24)