1-azanyl-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-(cyclohexylmethyl)urea

Systemtic Name: 1-azanyl-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-(cyclohexylmethyl)urea Openeye Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-(cyclohexylmethyl)urea CAS Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoylphenyl]-1-(cyclohexylmethyl)urea IUPAC Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoylphenyl]-1-(cyclohexylmethyl)urea Traditional Name: 3-[2-(3-amidinophenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-amino-1-(cyclohexylmethyl)urea Formula: C27H32N6O3S MolecularWeight: 520.64638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(C(=O)NC2=C(C(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)N)C4=CC(=CC=C4)C(=N)N)N

Isomeric SMILES

C1CCC(CC1)CN(C(=O)NC2=C(C(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)N)C4=CC(=CC=C4)C(=N)N)N

InChI

InChI=1S/C27H32N6O3S/c28-26(29)21-13-7-12-20(16-21)24-23(32-27(34)33(30)17-18-8-3-1-4-9-18)15-14-22(25(24)37(31,35)36)19-10-5-2-6-11-19/h2,5-7,10-16,18H,1,3-4,8-9,17,30H2,(H3,28,29)(H,32,34)(H2,31,35,36)