3-bromanyl-N-(phenethylcarbamothioyl)-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-(phenethylcarbamothioyl)-4-propoxy-benzamide Openeye Name: 3-bromo-N-(phenethylcarbamothioyl)-4-propoxy-benzamide CAS Name: 3-bromo-N-[(phenethylamino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-(phenethylcarbamothioyl)-4-propoxybenzamide Traditional Name: 3-bromo-N-(phenethylthiocarbamoyl)-4-propoxy-benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)Br

InChI

InChI=1S/C19H21BrN2O2S/c1-2-12-24-17-9-8-15(13-16(17)20)18(23)22-19(25)21-11-10-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3,(H2,21,22,23,25)