1-[2,3-bis(chloranyl)-4,6-disulfamoyl-phenyl]-3-phenyl-thiourea

Systemtic Name: 1-[2,3-bis(chloranyl)-4,6-disulfamoyl-phenyl]-3-phenyl-thiourea Openeye Name: 1-(2,3-dichloro-4,6-disulfamoyl-phenyl)-3-phenyl-thiourea CAS Name: 1-(2,3-dichloro-4,6-disulfamoylphenyl)-3-phenylthiourea IUPAC Name: 1-(2,3-dichloro-4,6-disulfamoylphenyl)-3-phenylthiourea Traditional Name: 1-(2,3-dichloro-4,6-disulfamoyl-phenyl)-3-phenyl-thiourea Formula: C13H12Cl2N4O4S3 MolecularWeight: 455.35978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)Cl

InChI

InChI=1S/C13H12Cl2N4O4S3/c14-10-8(25(16,20)21)6-9(26(17,22)23)12(11(10)15)19-13(24)18-7-4-2-1-3-5-7/h1-6H,(H2,16,20,21)(H2,17,22,23)(H2,18,19,24)