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4-heptoxy-N-(hexadecylcarbamothioyl)benzamide

4-heptoxy-N-(hexadecylcarbamothioyl)benzamide

Systemtic Name:4-heptoxy-N-(hexadecylcarbamothioyl)benzamide
Openeye Name:4-heptoxy-N-(hexadecylcarbamothioyl)benzamide
CAS Name:4-heptoxy-N-[(hexadecylamino)-sulfanylidenemethyl]benzamide
IUPAC Name:4-heptoxy-N-(hexadecylcarbamothioyl)benzamide
Traditional Name:N-(cetylthiocarbamoyl)-4-heptoxy-benzamide
Formula: C31H54N2O2S
MolecularWeight: 518.83766
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)OCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)OCCCCCCC


InChI

InChI=1S/C31H54N2O2S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-26-32-31(36)33-30(34)28-22-24-29(25-23-28)35-27-21-19-8-6-4-2/h22-25H,3-21,26-27H2,1-2H3,(H2,32,33,34,36)


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