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

Systemtic Name: ethyl 4-[2-[2-[(2-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(2-chlorophenyl)methylthio]-1-benzimidazolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(2-chlorobenzyl)thio]benzimidazol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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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=C4Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-2-32-24(31)17-11-13-19(14-12-17)27-23(30)15-29-22-10-6-5-9-21(22)28-25(29)33-16-18-7-3-4-8-20(18)26/h3-14H,2,15-16H2,1H3,(H,27,30)