N-[(4-carbamimidoylphenyl)methyl]-2-[4-[(3-iodanylphenyl)carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-[(3-iodanylphenyl)carbamothioylamino]phenyl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-[(3-iodophenyl)carbamothioylamino]phenyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-[[(3-iodoanilino)-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-[(3-iodophenyl)carbamothioylamino]phenyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[4-[(3-iodophenyl)thiocarbamoylamino]phenyl]acetamide Formula: C23H22IN5OS MolecularWeight: 543.42315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=S)NC2=CC=C(C=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=S)NC2=CC=C(C=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H22IN5OS/c24-18-2-1-3-20(13-18)29-23(31)28-19-10-6-15(7-11-19)12-21(30)27-14-16-4-8-17(9-5-16)22(25)26/h1-11,13H,12,14H2,(H3,25,26)(H,27,30)(H2,28,29,31)