N-[(4-carbamimidoylphenyl)methyl]-4-[[(3-iodanylphenyl)carbamothioylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-4-[[(3-iodanylphenyl)carbamothioylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-4-[[(3-iodophenyl)carbamothioylamino]methyl]cyclohexanecarboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-4-[[[(3-iodoanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-4-[[(3-iodophenyl)carbamothioylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-(4-amidinobenzyl)-4-[[(3-iodophenyl)thiocarbamoylamino]methyl]cyclohexanecarboxamide Formula: C23H28IN5OS MolecularWeight: 549.47079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=S)NC2=CC(=CC=C2)I)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1CNC(=S)NC2=CC(=CC=C2)I)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H28IN5OS/c24-19-2-1-3-20(12-19)29-23(31)28-14-16-6-10-18(11-7-16)22(30)27-13-15-4-8-17(9-5-15)21(25)26/h1-5,8-9,12,16,18H,6-7,10-11,13-14H2,(H3,25,26)(H,27,30)(H2,28,29,31)