4-carbamimidoyl-N-[3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-oxidanylpiperidin-1-yl)propan-2-yl]benzamide

Systemtic Name: 4-carbamimidoyl-N-[3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-oxidanylpiperidin-1-yl)propan-2-yl]benzamide Openeye Name: 4-carbamimidoyl-N-[1-[(4-hydroxy-3-iodo-phenyl)methyl]-2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]benzamide CAS Name: 4-carbamimidoyl-N-[3-(4-hydroxy-3-iodophenyl)-1-(4-hydroxy-1-piperidinyl)-1-oxopropan-2-yl]benzamide IUPAC Name: 4-carbamimidoyl-N-[3-(4-hydroxy-3-iodophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide Traditional Name: 4-amidino-N-[1-(4-hydroxy-3-iodo-benzyl)-2-(4-hydroxypiperidino)-2-keto-ethyl]benzamide Formula: C22H25IN4O4 MolecularWeight: 536.36277

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)C(CC2=CC(=C(C=C2)O)I)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1O)C(=O)C(CC2=CC(=C(C=C2)O)I)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25IN4O4/c23-17-11-13(1-6-19(17)29)12-18(22(31)27-9-7-16(28)8-10-27)26-21(30)15-4-2-14(3-5-15)20(24)25/h1-6,11,16,18,28-29H,7-10,12H2,(H3,24,25)(H,26,30)