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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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