2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(2-thiophen-2-ylethyl)carbamimidoyl]ethanamide

Systemtic Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(2-thiophen-2-ylethyl)carbamimidoyl]ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-[2-(2-thienyl)ethyl]carbamimidoyl]acetamide CAS Name: 2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-N-[amino(2-thiophen-2-ylethylimino)methyl]acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-[N'-(2-thiophen-2-ylethyl)carbamimidoyl]acetamide Traditional Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-[2-(2-thienyl)ethyl]amidino]acetamide Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(N4CC(=O)NC(=NCCC5=CC=CS5)N)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(N4CC(=O)NC(=NCCC5=CC=CS5)N)C6=CC=CC=C6

InChI

InChI=1S/C29H34N4OS/c30-28(31-11-10-24-7-4-12-35-24)32-27(34)19-33-25(23-5-2-1-3-6-23)8-9-26(33)29-16-20-13-21(17-29)15-22(14-20)18-29/h1-9,12,20-22H,10-11,13-19H2,(H3,30,31,32,34)