butyl 4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-2-3-10-27-19(26)13-4-7-15(8-5-13)22-18(25)12-28-20-23-16-9-6-14(21)11-17(16)24-20/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,24)