3-bromanyl-4-hexoxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(2-thienylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[sulfanylidene-(thiophen-2-ylmethylamino)methyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(2-thenylthiocarbamoyl)benzamide Formula: C19H23BrN2O2S2 MolecularWeight: 455.43212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CS2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CS2)Br

InChI

InChI=1S/C19H23BrN2O2S2/c1-2-3-4-5-10-24-17-9-8-14(12-16(17)20)18(23)22-19(25)21-13-15-7-6-11-26-15/h6-9,11-12H,2-5,10,13H2,1H3,(H2,21,22,23,25)