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

Systemtic Name: butyl 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-4-11-28-20(26)14-5-7-15(8-6-14)22-19(25)13-29-21-23-17-10-9-16(27-2)12-18(17)24-21/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,25)(H,23,24)