4-bromanyl-N-[(propanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[(propanoylamino)carbamothioyl]benzamide Openeye Name: 4-bromo-N-[(propanoylamino)carbamothioyl]benzamide CAS Name: 4-bromo-N-[(1-oxopropylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[(propanoylamino)carbamothioyl]benzamide Traditional Name: 4-bromo-N-(propionamidothiocarbamoyl)benzamide Formula: C11H12BrN3O2S MolecularWeight: 330.20088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrN3O2S/c1-2-9(16)14-15-11(18)13-10(17)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,14,16)(H2,13,15,17,18)