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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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