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5-bromanyl-N-(hexadecylcarbamothioyl)-2-(3-methylbutoxy)benzamide

5-bromanyl-N-(hexadecylcarbamothioyl)-2-(3-methylbutoxy)benzamide

Systemtic Name:5-bromanyl-N-(hexadecylcarbamothioyl)-2-(3-methylbutoxy)benzamide
Openeye Name:5-bromo-N-(hexadecylcarbamothioyl)-2-isopentyloxy-benzamide
CAS Name:5-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide
IUPAC Name:5-bromo-N-(hexadecylcarbamothioyl)-2-(3-methylbutoxy)benzamide
Traditional Name:5-bromo-N-(cetylthiocarbamoyl)-2-isoamoxy-benzamide
Formula: C29H49BrN2O2S
MolecularWeight: 569.68056
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H49BrN2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-29(35)32-28(33)26-23-25(30)18-19-27(26)34-22-20-24(2)3/h18-19,23-24H,4-17,20-22H2,1-3H3,(H2,31,32,33,35)


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