5-bromanyl-N-(1-phenylpropylcarbamothioyl)-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-(1-phenylpropylcarbamothioyl)-2-propoxy-benzamide Openeye Name: 5-bromo-N-(1-phenylpropylcarbamothioyl)-2-propoxy-benzamide CAS Name: 5-bromo-N-[(1-phenylpropylamino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-(1-phenylpropylcarbamothioyl)-2-propoxybenzamide Traditional Name: 5-bromo-N-(1-phenylpropylthiocarbamoyl)-2-propoxy-benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC(CC)C2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC(CC)C2=CC=CC=C2

InChI

InChI=1S/C20H23BrN2O2S/c1-3-12-25-18-11-10-15(21)13-16(18)19(24)23-20(26)22-17(4-2)14-8-6-5-7-9-14/h5-11,13,17H,3-4,12H2,1-2H3,(H2,22,23,24,26)