ethyl 4-[2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2-benzylsulfanylbenzimidazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-benzylsulfanylbenzimidazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(benzylthio)benzimidazol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-2-31-24(30)19-12-14-20(15-13-19)26-23(29)16-28-22-11-7-6-10-21(22)27-25(28)32-17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,26,29)