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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-(2-diethylaminoethyl)carbamimidoyl]thiophene-3-carboxamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(2-diethylaminoethyl)carbamimidoyl]thiophene-3-carboxamide CAS Name: N-[amino(2-diethylaminoethylimino)methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-thiophenecarboxamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-(2-diethylaminoethyl)carbamimidoyl]thiophene-3-carboxamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-[N'-(2-diethylaminoethyl)amidino]thiophene-3-carboxamide Formula: C21H29BrN4O2S MolecularWeight: 481.44956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN=C(N)NC(=O)C1=C(SC=C1)CCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCN(CC)CCN=C(N)NC(=O)C1=C(SC=C1)CCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H29BrN4O2S/c1-4-26(5-2)12-11-24-21(23)25-20(27)17-10-13-29-19(17)9-6-15-14-16(22)7-8-18(15)28-3/h7-8,10,13-14H,4-6,9,11-12H2,1-3H3,(H3,23,24,25,27)