5-bromanyl-N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[(3-ethoxyanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-2-hexoxy-N-(m-phenetylthiocarbamoyl)benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3S/c1-3-5-6-7-13-28-20-12-11-16(23)14-19(20)21(26)25-22(29)24-17-9-8-10-18(15-17)27-4-2/h8-12,14-15H,3-7,13H2,1-2H3,(H2,24,25,26,29)