5-bromanyl-N-(heptylcarbamothioyl)-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-(heptylcarbamothioyl)-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(heptylcarbamothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(heptylamino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-(heptylcarbamothioyl)-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(heptylthiocarbamoyl)-2-phenethyloxy-benzamide Formula: C23H29BrN2O2S MolecularWeight: 477.45756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H29BrN2O2S/c1-2-3-4-5-9-15-25-23(29)26-22(27)20-17-19(24)12-13-21(20)28-16-14-18-10-7-6-8-11-18/h6-8,10-13,17H,2-5,9,14-16H2,1H3,(H2,25,26,27,29)