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

Systemtic Name: 3-bromanyl-4-hexoxy-N-(phenethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(phenethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(phenethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(phenethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(phenethylthiocarbamoyl)benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)Br

InChI

InChI=1S/C22H27BrN2O2S/c1-2-3-4-8-15-27-20-12-11-18(16-19(20)23)21(26)25-22(28)24-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,2-4,8,13-15H2,1H3,(H2,24,25,26,28)