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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NC1=CC=CC(=C1S(=O)(=O)N)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCCCCN(C(=O)NC1=CC=CC(=C1S(=O)(=O)N)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=N)N

InChI

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