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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenyl-urea Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenyl-urea CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenylurea IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenylurea Traditional Name: 1-(3-amidinobenzyl)-3-[4-(2-mesylphenyl)phenyl]-1-phenyl-urea Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(CC3=CC=CC(=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(CC3=CC=CC(=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O3S/c1-36(34,35)26-13-6-5-12-25(26)21-14-16-23(17-15-21)31-28(33)32(24-10-3-2-4-11-24)19-20-8-7-9-22(18-20)27(29)30/h2-18H,19H2,1H3,(H3,29,30)(H,31,33)