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

Systemtic Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-(2-phenylsulfanylethyl)benzamide Openeye Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-(2-phenylsulfanylethyl)benzamide CAS Name: N-[amino-[3-(1H-imidazol-5-yl)propylimino]methyl]-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-N-(2-phenylsulfanylethyl)benzamide Traditional Name: N-[N'-[3-(1H-imidazol-5-yl)propyl]amidino]-N-[2-(phenylthio)ethyl]benzamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CCSC2=CC=CC=C2)C(=NCCCC3=CN=CN3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CCSC2=CC=CC=C2)C(=NCCCC3=CN=CN3)N

InChI

InChI=1S/C22H25N5OS/c23-22(25-13-7-10-19-16-24-17-26-19)27(21(28)18-8-3-1-4-9-18)14-15-29-20-11-5-2-6-12-20/h1-6,8-9,11-12,16-17H,7,10,13-15H2,(H2,23,25)(H,24,26)