[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 2-(1-isobutylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[(1-isobutylbenzimidazol-2-yl)thio]acetic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3S/c1-18(2)15-28-22-12-8-7-11-21(22)27-25(28)32-17-24(30)31-16-23(29)26-19(3)13-14-20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3,(H,26,29)