3-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[(3-ethoxypropanoylamino)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C16H22BrN3O5S MolecularWeight: 448.33198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O5S/c1-3-24-7-6-14(21)19-20-16(26)18-15(22)11-4-5-13(12(17)10-11)25-9-8-23-2/h4-5,10H,3,6-9H2,1-2H3,(H,19,21)(H2,18,20,22,26)