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5-bromanyl-N-(hexadecylcarbamothioyl)-2-methoxy-benzamide

5-bromanyl-N-(hexadecylcarbamothioyl)-2-methoxy-benzamide

Systemtic Name:5-bromanyl-N-(hexadecylcarbamothioyl)-2-methoxy-benzamide
Openeye Name:5-bromo-N-(hexadecylcarbamothioyl)-2-methoxy-benzamide
CAS Name:5-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-2-methoxybenzamide
IUPAC Name:5-bromo-N-(hexadecylcarbamothioyl)-2-methoxybenzamide
Traditional Name:5-bromo-N-(cetylthiocarbamoyl)-2-methoxy-benzamide
Formula: C25H41BrN2O2S
MolecularWeight: 513.57424
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OC


Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OC


InChI

InChI=1S/C25H41BrN2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-25(31)28-24(29)22-20-21(26)17-18-23(22)30-2/h17-18,20H,3-16,19H2,1-2H3,(H2,27,28,29,31)


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