3-bromanyl-4-butoxy-N-(1-phenylethylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-(1-phenylethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-butoxy-N-(1-phenylethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[(1-phenylethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-(1-phenylethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-butoxy-N-(1-phenylethylthiocarbamoyl)benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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