butyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: butyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Openeye Name: butyl 4-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C22H24N4O5S2 MolecularWeight: 488.57976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C22H24N4O5S2/c1-3-4-13-30-21(27)16-5-7-17(8-6-16)23-22(32)24-18-9-11-19(12-10-18)33(28,29)26-20-14-15(2)31-25-20/h5-12,14H,3-4,13H2,1-2H3,(H,25,26)(H2,23,24,32)