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

Systemtic Name: 1-[(2-carbamimidoyl-3-phenylmethoxy-phenyl)amino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(3-benzyloxy-2-carbamimidoyl-anilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(2-carbamimidoyl-3-phenylmethoxyanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(2-carbamimidoyl-3-phenylmethoxyanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(2-amidino-3-benzoxy-anilino)-1-benzyl-3-[4-(2-mesylphenyl)phenyl]urea Formula: C35H33N5O4S MolecularWeight: 619.73262

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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=C(C(=CC=C4)OCC5=CC=CC=C5)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(CC3=CC=CC=C3)NC4=C(C(=CC=C4)OCC5=CC=CC=C5)C(=N)N

InChI

InChI=1S/C35H33N5O4S/c1-45(42,43)32-18-9-8-15-29(32)27-19-21-28(22-20-27)38-35(41)40(23-25-11-4-2-5-12-25)39-30-16-10-17-31(33(30)34(36)37)44-24-26-13-6-3-7-14-26/h2-22,39H,23-24H2,1H3,(H3,36,37)(H,38,41)