4-azido-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-iodanylphenyl)carbamothioyl]pyrrolidine-2-carboxamide

Systemtic Name: 4-azido-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-iodanylphenyl)carbamothioyl]pyrrolidine-2-carboxamide Openeye Name: 4-azido-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-iodophenyl)carbamothioyl]pyrrolidine-2-carboxamide CAS Name: 4-azido-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-iodoanilino)-sulfanylidenemethyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-azido-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-iodophenyl)carbamothioyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-4-azido-1-[(3-iodophenyl)thiocarbamoyl]pyrrolidine-2-carboxamide Formula: C20H21IN8OS MolecularWeight: 548.40321

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=S)NC3=CC(=CC=C3)I)N=[N+]=[N-]

Isomeric SMILES

C1C(CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=S)NC3=CC(=CC=C3)I)N=[N+]=[N-]

InChI

InChI=1S/C20H21IN8OS/c21-14-2-1-3-15(8-14)26-20(31)29-11-16(27-28-24)9-17(29)19(30)25-10-12-4-6-13(7-5-12)18(22)23/h1-8,16-17H,9-11H2,(H3,22,23)(H,25,30)(H,26,31)