5-bromanyl-N-(3-oxidanylpropylcarbamothioyl)-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-(3-oxidanylpropylcarbamothioyl)-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(3-hydroxypropylcarbamothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(3-hydroxypropylamino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-(3-hydroxypropylcarbamothioyl)-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(3-hydroxypropylthiocarbamoyl)-2-phenethyloxy-benzamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NCCCO

InChI

InChI=1S/C19H21BrN2O3S/c20-15-7-8-17(25-12-9-14-5-2-1-3-6-14)16(13-15)18(24)22-19(26)21-10-4-11-23/h1-3,5-8,13,23H,4,9-12H2,(H2,21,22,24,26)