1-azanyl-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-pentyl-urea

Systemtic Name: 1-azanyl-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-pentyl-urea Openeye Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-pentyl-urea CAS Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoylphenyl]-1-pentylurea IUPAC Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoylphenyl]-1-pentylurea Traditional Name: 3-[2-(3-amidinophenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-amino-1-amyl-urea Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NC1=C(C(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)N)C3=CC(=CC=C3)C(=N)N)N

Isomeric SMILES

CCCCCN(C(=O)NC1=C(C(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)N)C3=CC(=CC=C3)C(=N)N)N

InChI

InChI=1S/C25H30N6O3S/c1-2-3-7-15-31(28)25(32)30-21-14-13-20(17-9-5-4-6-10-17)23(35(29,33)34)22(21)18-11-8-12-19(16-18)24(26)27/h4-6,8-14,16H,2-3,7,15,28H2,1H3,(H3,26,27)(H,30,32)(H2,29,33,34)