1-(3-chlorophenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(3-chlorophenyl)-3-[4-(2-quinoxalinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Formula: C21H16ClN5O2S2 MolecularWeight: 469.96704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClN5O2S2/c22-14-4-3-5-16(12-14)25-21(30)24-15-8-10-17(11-9-15)31(28,29)27-20-13-23-18-6-1-2-7-19(18)26-20/h1-13H,(H,26,27)(H2,24,25,30)