ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]benzoate Openeye Name: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]benzoate CAS Name: 4-[[2-(1H-benzimidazol-2-ylthio)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]benzoate Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)butanoylamino]benzoic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21N3O3S/c1-3-17(27-20-22-15-7-5-6-8-16(15)23-20)18(24)21-14-11-9-13(10-12-14)19(25)26-4-2/h5-12,17H,3-4H2,1-2H3,(H,21,24)(H,22,23)