2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-(pyridin-3-ylmethyl)carbamimidoyl]thiophene-3-carboxamide

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-(pyridin-3-ylmethyl)carbamimidoyl]thiophene-3-carboxamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(3-pyridylmethyl)carbamimidoyl]thiophene-3-carboxamide CAS Name: N-[amino(3-pyridinylmethylimino)methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-thiophenecarboxamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-(pyridin-3-ylmethyl)carbamimidoyl]thiophene-3-carboxamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(3-pyridylmethyl)amidino]thiophene-3-carboxamide Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CS2)C(=O)NC(=NCC3=CN=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CS2)C(=O)NC(=NCC3=CN=CC=C3)N

InChI

InChI=1S/C21H21BrN4O2S/c1-28-18-6-5-16(22)11-15(18)4-7-19-17(8-10-29-19)20(27)26-21(23)25-13-14-3-2-9-24-12-14/h2-3,5-6,8-12H,4,7,13H2,1H3,(H3,23,25,26,27)