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3-bromanyl-4-butoxy-N-(hexadecylcarbamothioyl)benzamide

3-bromanyl-4-butoxy-N-(hexadecylcarbamothioyl)benzamide

Systemtic Name:3-bromanyl-4-butoxy-N-(hexadecylcarbamothioyl)benzamide
Openeye Name:3-bromo-4-butoxy-N-(hexadecylcarbamothioyl)benzamide
CAS Name:3-bromo-4-butoxy-N-[(hexadecylamino)-sulfanylidenemethyl]benzamide
IUPAC Name:3-bromo-4-butoxy-N-(hexadecylcarbamothioyl)benzamide
Traditional Name:3-bromo-4-butoxy-N-(cetylthiocarbamoyl)benzamide
Formula: C28H47BrN2O2S
MolecularWeight: 555.65398
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H47BrN2O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-21-30-28(34)31-27(32)24-19-20-26(25(29)23-24)33-22-6-4-2/h19-20,23H,3-18,21-22H2,1-2H3,(H2,30,31,32,34)


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