1-(3,4-dichlorophenyl)-3-[(2,4-disulfamoylphenyl)carbamothioyl]urea

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(2,4-disulfamoylphenyl)carbamothioyl]urea Openeye Name: 1-(3,4-dichlorophenyl)-3-[(2,4-disulfamoylphenyl)carbamothioyl]urea CAS Name: 1-(3,4-dichlorophenyl)-3-[(2,4-disulfamoylanilino)-sulfanylidenemethyl]urea IUPAC Name: 1-(3,4-dichlorophenyl)-3-[(2,4-disulfamoylphenyl)carbamothioyl]urea Traditional Name: 1-(3,4-dichlorophenyl)-3-[(2,4-disulfamoylphenyl)thiocarbamoyl]urea Formula: C14H13Cl2N5O5S3 MolecularWeight: 498.38452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)N)S(=O)(=O)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)N)S(=O)(=O)N)Cl)Cl

InChI

InChI=1S/C14H13Cl2N5O5S3/c15-9-3-1-7(5-10(9)16)19-13(22)21-14(27)20-11-4-2-8(28(17,23)24)6-12(11)29(18,25)26/h1-6H,(H2,17,23,24)(H2,18,25,26)(H3,19,20,21,22,27)