[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3S/c1-2-11-25-18-6-4-3-5-17(18)24-21(25)29-14-20(27)28-13-19(26)23-12-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,26)