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

Systemtic Name:	3-bromanyl-4-ethoxy-N-(hexadecylcarbamothioyl)benzamide
Openeye Name:	3-bromo-4-ethoxy-N-(hexadecylcarbamothioyl)benzamide
CAS Name:	3-bromo-4-ethoxy-N-[(hexadecylamino)-sulfanylidenemethyl]benzamide
IUPAC Name:	3-bromo-4-ethoxy-N-(hexadecylcarbamothioyl)benzamide
Traditional Name:	3-bromo-N-(cetylthiocarbamoyl)-4-ethoxy-benzamide
Formula:	C₂₆H₄₃BrN₂O₂S
MolecularWeight:	527.60082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43BrN2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-26(32)29-25(30)22-18-19-24(31-4-2)23(27)21-22/h18-19,21H,3-17,20H2,1-2H3,(H2,28,29,30,32)

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