N-[(4-carbamimidoylphenyl)methyl]-5-[(3-iodanylphenyl)carbamothioylamino]pentanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-5-[(3-iodanylphenyl)carbamothioylamino]pentanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-5-[(3-iodophenyl)carbamothioylamino]pentanamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-5-[[(3-iodoanilino)-sulfanylidenemethyl]amino]pentanamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-5-[(3-iodophenyl)carbamothioylamino]pentanamide Traditional Name: N-(4-amidinobenzyl)-5-[(3-iodophenyl)thiocarbamoylamino]valeramide Formula: C20H24IN5OS MolecularWeight: 509.40693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=S)NCCCCC(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=S)NCCCCC(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H24IN5OS/c21-16-4-3-5-17(12-16)26-20(28)24-11-2-1-6-18(27)25-13-14-7-9-15(10-8-14)19(22)23/h3-5,7-10,12H,1-2,6,11,13H2,(H3,22,23)(H,25,27)(H2,24,26,28)