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

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-1-ethyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea Openeye Name: 1-(3-carbamimidoylanilino)-1-ethyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(3-carbamimidoylanilino)-1-ethyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea IUPAC Name: 1-(3-carbamimidoylanilino)-1-ethyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(3-amidinoanilino)-1-ethyl-3-[4-(2-mesylphenyl)phenyl]urea Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H25N5O3S/c1-3-28(27-19-8-6-7-17(15-19)22(24)25)23(29)26-18-13-11-16(12-14-18)20-9-4-5-10-21(20)32(2,30)31/h4-15,27H,3H2,1-2H3,(H3,24,25)(H,26,29)