3-bromanyl-N-(propan-2-ylcarbamothioyl)-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-(propan-2-ylcarbamothioyl)-4-propoxy-benzamide Openeye Name: 3-bromo-N-(isopropylcarbamothioyl)-4-propoxy-benzamide CAS Name: 3-bromo-N-[(propan-2-ylamino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-(propan-2-ylcarbamothioyl)-4-propoxybenzamide Traditional Name: 3-bromo-N-(isopropylthiocarbamoyl)-4-propoxy-benzamide Formula: C14H19BrN2O2S MolecularWeight: 359.28186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC(C)C)Br

InChI

InChI=1S/C14H19BrN2O2S/c1-4-7-19-12-6-5-10(8-11(12)15)13(18)17-14(20)16-9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H2,16,17,18,20)