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

Systemtic Name: 5-bromanyl-2-butoxy-N-(1-phenylpropylcarbamothioyl)benzamide Openeye Name: 5-bromo-2-butoxy-N-(1-phenylpropylcarbamothioyl)benzamide CAS Name: 5-bromo-2-butoxy-N-[(1-phenylpropylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-(1-phenylpropylcarbamothioyl)benzamide Traditional Name: 5-bromo-2-butoxy-N-(1-phenylpropylthiocarbamoyl)benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC(CC)C2=CC=CC=C2

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC(CC)C2=CC=CC=C2

InChI

InChI=1S/C21H25BrN2O2S/c1-3-5-13-26-19-12-11-16(22)14-17(19)20(25)24-21(27)23-18(4-2)15-9-7-6-8-10-15/h6-12,14,18H,3-5,13H2,1-2H3,(H2,23,24,25,27)