butyl 4-[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-(4-bromophenyl)thiazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-(4-bromophenyl)-2-thiazolyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(4-bromophenyl)thiazol-2-yl]thio]acetyl]amino]benzoic acid butyl ester Formula: C22H21BrN2O3S2 MolecularWeight: 505.44774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN2O3S2/c1-2-3-12-28-21(27)16-6-10-18(11-7-16)24-20(26)14-30-22-25-19(13-29-22)15-4-8-17(23)9-5-15/h4-11,13H,2-3,12,14H2,1H3,(H,24,26)