butyl 4-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-phenyl-1H-imidazol-2-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-phenyl-1H-imidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-2-3-13-28-21(27)17-9-11-18(12-10-17)24-20(26)15-29-22-23-14-19(25-22)16-7-5-4-6-8-16/h4-12,14H,2-3,13,15H2,1H3,(H,23,25)(H,24,26)