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

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-1-(phenylmethyl)-3-[4-(2-sulfamoylphenyl)phenyl]urea Openeye Name: 1-benzyl-1-(3-carbamimidoylanilino)-3-[4-(2-sulfamoylphenyl)phenyl]urea CAS Name: 1-(3-carbamimidoylanilino)-1-(phenylmethyl)-3-[4-(2-sulfamoylphenyl)phenyl]urea IUPAC Name: 1-benzyl-1-(3-carbamimidoylanilino)-3-[4-(2-sulfamoylphenyl)phenyl]urea Traditional Name: 1-(3-amidinoanilino)-1-benzyl-3-[4-(2-sulfamoylphenyl)phenyl]urea Formula: C27H26N6O3S MolecularWeight: 514.59874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CN(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H26N6O3S/c28-26(29)21-9-6-10-23(17-21)32-33(18-19-7-2-1-3-8-19)27(34)31-22-15-13-20(14-16-22)24-11-4-5-12-25(24)37(30,35)36/h1-17,32H,18H2,(H3,28,29)(H,31,34)(H2,30,35,36)