5-bromanyl-2-hexoxy-N-[(4-methylphenyl)methylcarbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[(4-methylphenyl)methylcarbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-(p-tolylmethylcarbamothioyl)benzamide CAS Name: 5-bromo-2-hexoxy-N-[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[(4-methylphenyl)methylcarbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[(4-methylbenzyl)thiocarbamoyl]benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27BrN2O2S/c1-3-4-5-6-13-27-20-12-11-18(23)14-19(20)21(26)25-22(28)24-15-17-9-7-16(2)8-10-17/h7-12,14H,3-6,13,15H2,1-2H3,(H2,24,25,26,28)