[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NCC(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NCC(C)C

InChI

InChI=1S/C18H25N3O3S/c1-4-9-21-15-8-6-5-7-14(15)20-18(21)25-12-17(23)24-11-16(22)19-10-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,22)