methyl 4-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-hexyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-hexylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O3S/c1-3-4-5-8-15-26-20-10-7-6-9-19(20)25-23(26)30-16-21(27)24-18-13-11-17(12-14-18)22(28)29-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,24,27)