1-[(3-carbamimidoylphenyl)-phenyl-amino]-3-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]urea

Systemtic Name: 1-[(3-carbamimidoylphenyl)-phenyl-amino]-3-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]urea Openeye Name: 1-(N-(3-carbamimidoylphenyl)anilino)-3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(N-(3-carbamimidoylphenyl)anilino)-3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]urea IUPAC Name: 1-(N-(3-carbamimidoylphenyl)anilino)-3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(N-(3-amidinophenyl)anilino)-3-[2-fluoro-4-(2-mesylphenyl)phenyl]urea Formula: C27H24FN5O3S MolecularWeight: 517.574563

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N)F

InChI

InChI=1S/C27H24FN5O3S/c1-37(35,36)25-13-6-5-12-22(25)18-14-15-24(23(28)17-18)31-27(34)32-33(20-9-3-2-4-10-20)21-11-7-8-19(16-21)26(29)30/h2-17H,1H3,(H3,29,30)(H2,31,32,34)