1-[(3-carbamimidoylphenyl)amino]-1-pentyl-3-[4-(2-sulfamoylphenyl)phenyl]urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCCCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)NC3=CC=CC(=C3)C(=N)N

InChI

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