S-pentyl 2-oxidanylidene-1,3-dihydrobenzimidazole-5-carbothioate

Systemtic Name: S-pentyl 2-oxidanylidene-1,3-dihydrobenzimidazole-5-carbothioate Openeye Name: S-pentyl 2-oxo-1,3-dihydrobenzimidazole-5-carbothioate CAS Name: 2-oxo-1,3-dihydrobenzimidazole-5-carbothioic acid S-pentyl ester IUPAC Name: S-pentyl 2-oxo-1,3-dihydrobenzimidazole-5-carbothioate Traditional Name: 2-keto-1,3-dihydrobenzimidazole-5-carbothioic acid S-amyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=O)C1=CC2=C(C=C1)NC(=O)N2

Isomeric SMILES

CCCCCSC(=O)C1=CC2=C(C=C1)NC(=O)N2

InChI

InChI=1S/C13H16N2O2S/c1-2-3-4-7-18-12(16)9-5-6-10-11(8-9)15-13(17)14-10/h5-6,8H,2-4,7H2,1H3,(H2,14,15,17)