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

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-1-[(3-chlorophenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]urea Openeye Name: 1-(3-carbamimidoylanilino)-1-[(3-chlorophenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(3-carbamimidoylanilino)-1-[(3-chlorophenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]urea IUPAC Name: 1-(3-carbamimidoylanilino)-1-[(3-chlorophenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(3-amidinoanilino)-1-(3-chlorobenzyl)-3-[4-(2-mesylphenyl)phenyl]urea Formula: C28H26ClN5O3S MolecularWeight: 548.05574

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

InChI

InChI=1S/C28H26ClN5O3S/c1-38(36,37)26-11-3-2-10-25(26)20-12-14-23(15-13-20)32-28(35)34(18-19-6-4-8-22(29)16-19)33-24-9-5-7-21(17-24)27(30)31/h2-17,33H,18H2,1H3,(H3,30,31)(H,32,35)