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O-(2-ethylhexyl) 3-[naphthalen-1-yl(phenyl)amino]propanethioate

O-(2-ethylhexyl) 3-[naphthalen-1-yl(phenyl)amino]propanethioate

Systemtic Name:O-(2-ethylhexyl) 3-[naphthalen-1-yl(phenyl)amino]propanethioate
Openeye Name:O-(2-ethylhexyl) 3-[N-(1-naphthyl)anilino]propanethioate
CAS Name:3-[N-(1-naphthalenyl)anilino]propanethioic acid O-(2-ethylhexyl) ester
IUPAC Name:O-(2-ethylhexyl) 3-(N-naphthalen-1-ylanilino)propanethioate
Traditional Name:3-[N-(1-naphthyl)anilino]propanethioic acid O-(2-ethylhexyl) ester
Formula: C27H33NOS
MolecularWeight: 419.62202
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=S)CCN(C1=CC=CC=C1)C2=CC=CC3=CC=CC=C32


Isomeric SMILES

CCCCC(CC)COC(=S)CCN(C1=CC=CC=C1)C2=CC=CC3=CC=CC=C32


InChI

InChI=1S/C27H33NOS/c1-3-5-12-22(4-2)21-29-27(30)19-20-28(24-15-7-6-8-16-24)26-18-11-14-23-13-9-10-17-25(23)26/h6-11,13-18,22H,3-5,12,19-21H2,1-2H3


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