3-bromanyl-4-hexoxy-N-(3-oxidanylpropylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-(3-oxidanylpropylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(3-hydroxypropylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(3-hydroxypropylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(3-hydroxypropylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(3-hydroxypropylthiocarbamoyl)benzamide Formula: C17H25BrN2O3S MolecularWeight: 417.361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCCO)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCCO)Br

InChI

InChI=1S/C17H25BrN2O3S/c1-2-3-4-5-11-23-15-8-7-13(12-14(15)18)16(22)20-17(24)19-9-6-10-21/h7-8,12,21H,2-6,9-11H2,1H3,(H2,19,20,22,24)