5-bromanyl-N-(2-diethylaminoethylcarbamothioyl)-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-(2-diethylaminoethylcarbamothioyl)-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(2-diethylaminoethylcarbamothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-(2-diethylaminoethylcarbamothioyl)-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(2-diethylaminoethylthiocarbamoyl)-2-phenethyloxy-benzamide Formula: C22H28BrN3O2S MolecularWeight: 478.44562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H28BrN3O2S/c1-3-26(4-2)14-13-24-22(29)25-21(27)19-16-18(23)10-11-20(19)28-15-12-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3,(H2,24,25,27,29)