1-(3,5-dimethylphenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[4-(2-quinoxalinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Formula: C23H21N5O2S2 MolecularWeight: 463.57514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3)C

InChI

InChI=1S/C23H21N5O2S2/c1-15-11-16(2)13-18(12-15)26-23(31)25-17-7-9-19(10-8-17)32(29,30)28-22-14-24-20-5-3-4-6-21(20)27-22/h3-14H,1-2H3,(H,27,28)(H2,25,26,31)