methyl 8-(5-octyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)octanoate

Systemtic Name: methyl 8-(5-octyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)octanoate Openeye Name: methyl 8-(5-octyl-2-thioxo-1,3-dihydroimidazol-4-yl)octanoate CAS Name: 8-(5-octyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)octanoic acid methyl ester IUPAC Name: methyl 8-(5-octyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)octanoate Traditional Name: 8-(5-octyl-2-thioxo-4-imidazolin-4-yl)caprylic acid methyl ester Formula: C20H36N2O2S MolecularWeight: 368.57704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=S)N1)CCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCCC1=C(NC(=S)N1)CCCCCCCC(=O)OC

InChI

InChI=1S/C20H36N2O2S/c1-3-4-5-6-8-11-14-17-18(22-20(25)21-17)15-12-9-7-10-13-16-19(23)24-2/h3-16H2,1-2H3,(H2,21,22,25)