N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(6H-thieno[2,3-b]pyrrol-5-ylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(6H-thieno[2,3-b]pyrrol-5-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-[oxo(6H-thieno[2,3-b]pyrrol-5-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)isonipecotamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C(=O)C3=CC4=C(N3)SC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C(=O)C3=CC4=C(N3)SC=C4

InChI

InChI=1S/C21H22BrN3O3S/c1-28-18-3-2-16(22)10-15(18)12-23-19(26)13-4-7-25(8-5-13)21(27)17-11-14-6-9-29-20(14)24-17/h2-3,6,9-11,13,24H,4-5,7-8,12H2,1H3,(H,23,26)