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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

InChI=1S/C21H25BrN2O2S/c1-4-18(15-8-6-5-7-9-15)23-21(27)24-20(25)17-12-16(22)10-11-19(17)26-13-14(2)3/h5-12,14,18H,4,13H2,1-3H3,(H2,23,24,25,27)