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

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(3-amidinoanilino)-1-benzyl-3-[4-(2-mesylphenyl)phenyl]urea Formula: C28H27N5O3S MolecularWeight: 513.61068

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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)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(CC3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C28H27N5O3S/c1-37(35,36)26-13-6-5-12-25(26)21-14-16-23(17-15-21)31-28(34)33(19-20-8-3-2-4-9-20)32-24-11-7-10-22(18-24)27(29)30/h2-18,32H,19H2,1H3,(H3,29,30)(H,31,34)