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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]thiophene-3-carboxamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]thiophene-3-carboxamide CAS Name: N-[amino-[3-(1-pyrrolidinyl)propylimino]methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-thiophenecarboxamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]thiophene-3-carboxamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(3-pyrrolidinopropyl)amidino]thiophene-3-carboxamide Formula: C22H29BrN4O2S MolecularWeight: 493.46026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CS2)C(=O)NC(=NCCCN3CCCC3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CS2)C(=O)NC(=NCCCN3CCCC3)N

InChI

InChI=1S/C22H29BrN4O2S/c1-29-19-7-6-17(23)15-16(19)5-8-20-18(9-14-30-20)21(28)26-22(24)25-10-4-13-27-11-2-3-12-27/h6-7,9,14-15H,2-5,8,10-13H2,1H3,(H3,24,25,26,28)