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

Systemtic Name: methyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O3S/c1-22-16-6-4-3-5-15(16)21-19(22)26-12-17(23)20-11-13-7-9-14(10-8-13)18(24)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)