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

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenyl-urea Openeye Name: 1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenyl-urea CAS Name: 1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenylurea IUPAC Name: 1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenylurea Traditional Name: 1-(3-amidinoanilino)-3-[4-(2-mesylphenyl)phenyl]-1-phenyl-urea Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H25N5O3S/c1-36(34,35)25-13-6-5-12-24(25)19-14-16-21(17-15-19)30-27(33)32(23-10-3-2-4-11-23)31-22-9-7-8-20(18-22)26(28)29/h2-18,31H,1H3,(H3,28,29)(H,30,33)