3-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(3-ethoxypropanoylamino)thiocarbamoyl]-4-methyl-benzamide Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O3S/c1-3-21-7-6-12(19)17-18-14(22)16-13(20)10-5-4-9(2)11(15)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,17,19)(H2,16,18,20,22)