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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-(2-pyrrolidin-1-ylethyl)carbamimidoyl]thiophene-3-carboxamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(2-pyrrolidin-1-ylethyl)carbamimidoyl]thiophene-3-carboxamide CAS Name: N-[amino-[2-(1-pyrrolidinyl)ethylimino]methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-thiophenecarboxamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-(2-pyrrolidin-1-ylethyl)carbamimidoyl]thiophene-3-carboxamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(2-pyrrolidinoethyl)amidino]thiophene-3-carboxamide Formula: C21H27BrN4O2S MolecularWeight: 479.43368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CS2)C(=O)NC(=NCCN3CCCC3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CS2)C(=O)NC(=NCCN3CCCC3)N

InChI

InChI=1S/C21H27BrN4O2S/c1-28-18-6-5-16(22)14-15(18)4-7-19-17(8-13-29-19)20(27)25-21(23)24-9-12-26-10-2-3-11-26/h5-6,8,13-14H,2-4,7,9-12H2,1H3,(H3,23,24,25,27)