1-(phenylmethyl)-3-(3,4,5-trisulfamoylphenyl)thiourea

Systemtic Name: 1-(phenylmethyl)-3-(3,4,5-trisulfamoylphenyl)thiourea Openeye Name: 1-benzyl-3-(3,4,5-trisulfamoylphenyl)thiourea CAS Name: 1-(phenylmethyl)-3-(3,4,5-trisulfamoylphenyl)thiourea IUPAC Name: 1-benzyl-3-(3,4,5-trisulfamoylphenyl)thiourea Traditional Name: 1-benzyl-3-(3,4,5-trisulfamoylphenyl)thiourea Formula: C14H17N5O6S4 MolecularWeight: 479.57468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C(=C2)S(=O)(=O)N)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C(=C2)S(=O)(=O)N)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C14H17N5O6S4/c15-27(20,21)11-6-10(7-12(28(16,22)23)13(11)29(17,24)25)19-14(26)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,20,21)(H2,16,22,23)(H2,17,24,25)(H2,18,19,26)