ethyl 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S/c1-2-32-25(31)20-12-14-21(15-13-20)27-24(30)18-33-26-28-22-10-6-7-11-23(22)29(26)17-16-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,27,30)