1-(3-carbamimidoylphenyl)-3-[4-[(3-fluorophenyl)methylsulfamoyl]phenyl]thiourea

Systemtic Name: 1-(3-carbamimidoylphenyl)-3-[4-[(3-fluorophenyl)methylsulfamoyl]phenyl]thiourea Openeye Name: 1-(3-carbamimidoylphenyl)-3-[4-[(3-fluorophenyl)methylsulfamoyl]phenyl]thiourea CAS Name: 1-(3-carbamimidoylphenyl)-3-[4-[(3-fluorophenyl)methylsulfamoyl]phenyl]thiourea IUPAC Name: 1-(3-carbamimidoylphenyl)-3-[4-[(3-fluorophenyl)methylsulfamoyl]phenyl]thiourea Traditional Name: 1-(3-amidinophenyl)-3-[4-[(3-fluorobenzyl)sulfamoyl]phenyl]thiourea Formula: C21H20FN5O2S2 MolecularWeight: 457.544203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)F)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H20FN5O2S2/c22-16-5-1-3-14(11-16)13-25-31(28,29)19-9-7-17(8-10-19)26-21(30)27-18-6-2-4-15(12-18)20(23)24/h1-12,25H,13H2,(H3,23,24)(H2,26,27,30)