1-[2,4-bis(fluoranyl)phenyl]-3-[(4-sulfamoylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[(4-sulfamoylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(2,4-difluorophenyl)-3-[(4-sulfamoylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-(2,4-difluorophenyl)-3-[(4-sulfamoylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(2,4-difluorophenyl)-3-[(4-sulfamoylphenyl)thiocarbamoylamino]thiourea Formula: C14H13F2N5O2S3 MolecularWeight: 417.477126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC(=S)NC2=C(C=C(C=C2)F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC(=S)NC2=C(C=C(C=C2)F)F)S(=O)(=O)N

InChI

InChI=1S/C14H13F2N5O2S3/c15-8-1-6-12(11(16)7-8)19-14(25)21-20-13(24)18-9-2-4-10(5-3-9)26(17,22)23/h1-7H,(H2,17,22,23)(H2,18,20,24)(H2,19,21,25)