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

Systemtic Name: methyl 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c1-31-24(30)19-11-13-20(14-12-19)26-23(29)17-32-25-27-21-9-5-6-10-22(21)28(25)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,29)