butyl 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: butyl 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: butyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]benzoic acid butyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21N3O3S/c1-2-3-11-26-19(25)14-7-6-8-15(12-14)21-18(24)13-27-20-22-16-9-4-5-10-17(16)23-20/h4-10,12H,2-3,11,13H2,1H3,(H,21,24)(H,22,23)