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5-heptadecyl-N-phenyl-2,3-dihydropyrrole-1-carbothioamide

5-heptadecyl-N-phenyl-2,3-dihydropyrrole-1-carbothioamide

Systemtic Name:5-heptadecyl-N-phenyl-2,3-dihydropyrrole-1-carbothioamide
Openeye Name:5-heptadecyl-N-phenyl-2,3-dihydropyrrole-1-carbothioamide
CAS Name:5-heptadecyl-N-phenyl-2,3-dihydropyrrole-1-carbothioamide
IUPAC Name:5-heptadecyl-N-phenyl-2,3-dihydropyrrole-1-carbothioamide
Traditional Name:2-heptadecyl-N-phenyl-2-pyrroline-1-carbothioamide
Formula: C28H46N2S
MolecularWeight: 442.74324
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CCCN1C(=S)NC2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CCCN1C(=S)NC2=CC=CC=C2


InChI

InChI=1S/C28H46N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-27-24-20-25-30(27)28(31)29-26-21-17-16-18-22-26/h16-18,21-22,24H,2-15,19-20,23,25H2,1H3,(H,29,31)


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