4-carbamimidoyl-N-[1-(3-carbamimidoylphenoxy)-3-(4-iodophenyl)propan-2-yl]benzamide

Systemtic Name: 4-carbamimidoyl-N-[1-(3-carbamimidoylphenoxy)-3-(4-iodophenyl)propan-2-yl]benzamide Openeye Name: 4-carbamimidoyl-N-[1-[(3-carbamimidoylphenoxy)methyl]-2-(4-iodophenyl)ethyl]benzamide CAS Name: 4-carbamimidoyl-N-[1-(3-carbamimidoylphenoxy)-3-(4-iodophenyl)propan-2-yl]benzamide IUPAC Name: 4-carbamimidoyl-N-[1-(3-carbamimidoylphenoxy)-3-(4-iodophenyl)propan-2-yl]benzamide Traditional Name: 4-amidino-N-[1-[(3-amidinophenoxy)methyl]-2-(4-iodophenyl)ethyl]benzamide Formula: C24H24IN5O2 MolecularWeight: 541.38413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(CC2=CC=C(C=C2)I)NC(=O)C3=CC=C(C=C3)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC(CC2=CC=C(C=C2)I)NC(=O)C3=CC=C(C=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C24H24IN5O2/c25-19-10-4-15(5-11-19)12-20(14-32-21-3-1-2-18(13-21)23(28)29)30-24(31)17-8-6-16(7-9-17)22(26)27/h1-11,13,20H,12,14H2,(H3,26,27)(H3,28,29)(H,30,31)