propan-2-yl 4-[[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzoate CAS Name: 4-[[[4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzoate Traditional Name: 4-[[4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoyl]amino]benzoic acid isopropyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C23H24N4O4S/c1-15(2)31-22(30)17-6-10-19(11-7-17)26-21(29)16-4-8-18(9-5-16)25-20(28)14-32-23-24-12-13-27(23)3/h4-13,15H,14H2,1-3H3,(H,25,28)(H,26,29)