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

Systemtic Name: butyl 4-[2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(4-bromophenyl)methylsulfanyl]thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(4-bromophenyl)methylthio]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(4-bromobenzyl)thio]thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C23H23BrN2O3S2 MolecularWeight: 519.47432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H23BrN2O3S2/c1-2-3-12-29-22(28)17-6-10-19(11-7-17)25-21(27)13-20-15-31-23(26-20)30-14-16-4-8-18(24)9-5-16/h4-11,15H,2-3,12-14H2,1H3,(H,25,27)