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

Systemtic Name: butyl 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3S/c1-2-3-19-34-27(33)22-13-15-23(16-14-22)29-26(32)20-35-28-30-24-11-7-8-12-25(24)31(28)18-17-21-9-5-4-6-10-21/h4-16H,2-3,17-20H2,1H3,(H,29,32)