2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-(3-piperidin-1-ylpropyl)carbamimidoyl]thiophene-3-carboxamide

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-(3-piperidin-1-ylpropyl)carbamimidoyl]thiophene-3-carboxamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-[3-(1-piperidyl)propyl]carbamimidoyl]thiophene-3-carboxamide CAS Name: N-[amino-[3-(1-piperidinyl)propylimino]methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-thiophenecarboxamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-(3-piperidin-1-ylpropyl)carbamimidoyl]thiophene-3-carboxamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(3-piperidinopropyl)amidino]thiophene-3-carboxamide Formula: C23H31BrN4O2S MolecularWeight: 507.48684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CS2)C(=O)NC(=NCCCN3CCCCC3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CS2)C(=O)NC(=NCCCN3CCCCC3)N

InChI

InChI=1S/C23H31BrN4O2S/c1-30-20-8-7-18(24)16-17(20)6-9-21-19(10-15-31-21)22(29)27-23(25)26-11-5-14-28-12-3-2-4-13-28/h7-8,10,15-16H,2-6,9,11-14H2,1H3,(H3,25,26,27,29)