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

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-1-methyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea Openeye Name: 1-(3-carbamimidoylanilino)-1-methyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(3-carbamimidoylanilino)-1-methyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea IUPAC Name: 1-(3-carbamimidoylanilino)-1-methyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(3-amidinoanilino)-3-[4-(2-mesylphenyl)phenyl]-1-methyl-urea Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c1-27(26-18-7-5-6-16(14-18)21(23)24)22(28)25-17-12-10-15(11-13-17)19-8-3-4-9-20(19)31(2,29)30/h3-14,26H,1-2H3,(H3,23,24)(H,25,28)