cyclohexyl 2-[1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[1-[2-(benzylamino)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-2-benzimidazolyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[2-(benzylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[2-(benzylamino)-2-keto-ethyl]benzimidazol-2-yl]thio]acetic acid cyclohexyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC3=CC=CC=C3N2CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC3=CC=CC=C3N2CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S/c28-22(25-15-18-9-3-1-4-10-18)16-27-21-14-8-7-13-20(21)26-24(27)31-17-23(29)30-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,25,28)