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N-(4-dodecylphenyl)-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide

N-(4-dodecylphenyl)-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide

Systemtic Name:N-(4-dodecylphenyl)-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide
Openeye Name:N-(4-dodecylphenyl)-4-oxo-thiochromane-3-carboxamide
CAS Name:N-(4-dodecylphenyl)-4-oxo-2,3-dihydro-1-benzothiopyran-3-carboxamide
IUPAC Name:N-(4-dodecylphenyl)-4-oxo-2,3-dihydrothiochromene-3-carboxamide
Traditional Name:4-keto-N-(4-laurylphenyl)thiochroman-3-carboxamide
Formula: C28H37NO2S
MolecularWeight: 451.66388
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)C2CSC3=CC=CC=C3C2=O


Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)C2CSC3=CC=CC=C3C2=O


InChI

InChI=1S/C28H37NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-22-17-19-23(20-18-22)29-28(31)25-21-32-26-16-13-12-15-24(26)27(25)30/h12-13,15-20,25H,2-11,14,21H2,1H3,(H,29,31)


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