3-bromanyl-4-hexoxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(thiazol-2-ylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[sulfanylidene-(2-thiazolylamino)methyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(thiazol-2-ylthiocarbamoyl)benzamide Formula: C17H20BrN3O2S2 MolecularWeight: 442.3936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=CS2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=CS2)Br

InChI

InChI=1S/C17H20BrN3O2S2/c1-2-3-4-5-9-23-14-7-6-12(11-13(14)18)15(22)20-16(24)21-17-19-8-10-25-17/h6-8,10-11H,2-5,9H2,1H3,(H2,19,20,21,22,24)