3-(1-cyclohexylbenzimidazol-2-yl)sulfanylpropanoate

Systemtic Name: 3-(1-cyclohexylbenzimidazol-2-yl)sulfanylpropanoate Openeye Name: 3-(1-cyclohexylbenzimidazol-2-yl)sulfanylpropanoate CAS Name: 3-[(1-cyclohexyl-2-benzimidazolyl)thio]propanoate IUPAC Name: 3-(1-cyclohexylbenzimidazol-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-cyclohexylbenzimidazol-2-yl)thio]propionate Formula: C16H19N2O2S- MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=CC=CC=C3N=C2SCCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C3=CC=CC=C3N=C2SCCC(=O)[O-]

InChI

InChI=1S/C16H20N2O2S/c19-15(20)10-11-21-16-17-13-8-4-5-9-14(13)18(16)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,20)/p-1