5-bromanyl-N-[(4-ethanoylphenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-ethanoylphenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-5-bromo-2-hexoxybenzamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C22H25BrN2O3S/c1-3-4-5-6-13-28-20-12-9-17(23)14-19(20)21(27)25-22(29)24-18-10-7-16(8-11-18)15(2)26/h7-12,14H,3-6,13H2,1-2H3,(H2,24,25,27,29)