3-bromanyl-4-(2-methylpropoxy)-N-(phenethylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-(phenethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-(phenethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[(phenethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-(phenethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-(phenethylthiocarbamoyl)benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-14(2)13-25-18-9-8-16(12-17(18)21)19(24)23-20(26)22-11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H2,22,23,24,26)