N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(2-thenoyl)isonipecotamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)Br)OC

InChI

InChI=1S/C21H25BrN2O4S/c1-27-17-12-15(16(22)13-18(17)28-2)5-8-23-20(25)14-6-9-24(10-7-14)21(26)19-4-3-11-29-19/h3-4,11-14H,5-10H2,1-2H3,(H,23,25)