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N-(hexadecylcarbamothioyl)-3-(2-methylpropoxy)benzamide

N-(hexadecylcarbamothioyl)-3-(2-methylpropoxy)benzamide

Systemtic Name:N-(hexadecylcarbamothioyl)-3-(2-methylpropoxy)benzamide
Openeye Name:N-(hexadecylcarbamothioyl)-3-isobutoxy-benzamide
CAS Name:N-[(hexadecylamino)-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide
IUPAC Name:N-(hexadecylcarbamothioyl)-3-(2-methylpropoxy)benzamide
Traditional Name:N-(cetylthiocarbamoyl)-3-isobutoxy-benzamide
Formula: C28H48N2O2S
MolecularWeight: 476.75792
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H48N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-28(33)30-27(31)25-19-18-20-26(22-25)32-23-24(2)3/h18-20,22,24H,4-17,21,23H2,1-3H3,(H2,29,30,31,33)


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