cyclohexyl 2-[1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[1-[2-(isopropylamino)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-benzimidazolyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[2-(isopropylamino)-2-keto-ethyl]benzimidazol-2-yl]thio]acetic acid cyclohexyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)OC3CCCCC3

Isomeric SMILES

CC(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)OC3CCCCC3

InChI

InChI=1S/C20H27N3O3S/c1-14(2)21-18(24)12-23-17-11-7-6-10-16(17)22-20(23)27-13-19(25)26-15-8-4-3-5-9-15/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H,21,24)