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

Systemtic Name: 1-azanyl-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-(4-methoxybutyl)urea Openeye Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-(4-methoxybutyl)urea CAS Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoylphenyl]-1-(4-methoxybutyl)urea IUPAC Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoylphenyl]-1-(4-methoxybutyl)urea Traditional Name: 3-[2-(3-amidinophenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-amino-1-(4-methoxybutyl)urea Formula: C25H30N6O4S MolecularWeight: 510.6085

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCN(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

COCCCCN(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/C25H30N6O4S/c1-35-15-6-5-14-31(28)25(32)30-21-13-12-20(17-8-3-2-4-9-17)23(36(29,33)34)22(21)18-10-7-11-19(16-18)24(26)27/h2-4,7-13,16H,5-6,14-15,28H2,1H3,(H3,26,27)(H,30,32)(H2,29,33,34)