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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(6H-thieno[2,3-b]pyrrol-5-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-[oxo(6H-thieno[2,3-b]pyrrol-5-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)isonipecotamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(N3)SC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(N3)SC=C4)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-12-2-3-16(15(21)10-12)22-18(25)13-4-7-24(8-5-13)20(26)17-11-14-6-9-27-19(14)23-17/h2-3,6,9-11,13,23H,4-5,7-8H2,1H3,(H,22,25)