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

Systemtic Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-(3-pyridin-2-ylsulfanylpropyl)benzamide Openeye Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-[3-(2-pyridylsulfanyl)propyl]benzamide CAS Name: N-[amino-[3-(1H-imidazol-5-yl)propylimino]methyl]-N-[3-(2-pyridinylthio)propyl]benzamide IUPAC Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-(3-pyridin-2-ylsulfanylpropyl)benzamide Traditional Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]amidino]-N-[3-(2-pyridylthio)propyl]benzamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CCCSC2=CC=CC=N2)C(=NCCCC3=CN=CN3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CCCSC2=CC=CC=N2)C(=NCCCC3=CN=CN3)N

InChI

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