N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]benzamide

Systemtic Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]benzamide Openeye Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-[2-(2-pyridylmethylsulfanyl)ethyl]benzamide CAS Name: N-[amino-[3-(1H-imidazol-5-yl)propylimino]methyl]-N-[2-(2-pyridinylmethylthio)ethyl]benzamide IUPAC Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]benzamide Traditional Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]amidino]-N-[2-(2-pyridylmethylthio)ethyl]benzamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CCSCC2=CC=CC=N2)C(=NCCCC3=CN=CN3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CCSCC2=CC=CC=N2)C(=NCCCC3=CN=CN3)N

InChI

InChI=1S/C22H26N6OS/c23-22(26-12-6-10-19-15-24-17-27-19)28(21(29)18-7-2-1-3-8-18)13-14-30-16-20-9-4-5-11-25-20/h1-5,7-9,11,15,17H,6,10,12-14,16H2,(H2,23,26)(H,24,27)