3-bromanyl-4-hexoxy-N-(prop-2-enylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-(prop-2-enylcarbamothioyl)benzamide Openeye Name: N-(allylcarbamothioyl)-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[(prop-2-enylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(prop-2-enylcarbamothioyl)benzamide Traditional Name: N-(allylthiocarbamoyl)-3-bromo-4-hexoxy-benzamide Formula: C17H23BrN2O2S MolecularWeight: 399.34572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O2S/c1-3-5-6-7-11-22-15-9-8-13(12-14(15)18)16(21)20-17(23)19-10-4-2/h4,8-9,12H,2-3,5-7,10-11H2,1H3,(H2,19,20,21,23)