1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-(2-quinoxalinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Formula: C26H23N7O3S2 MolecularWeight: 545.63592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H23N7O3S2/c1-17-24(25(34)33(32(17)2)19-8-4-3-5-9-19)30-26(37)28-18-12-14-20(15-13-18)38(35,36)31-23-16-27-21-10-6-7-11-22(21)29-23/h3-16H,1-2H3,(H,29,31)(H2,28,30,37)