N-[1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrol-5-yl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrol-5-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-[(4-ethyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)nipecotamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5)SC=C2

Isomeric SMILES

CCN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5)SC=C2

InChI

InChI=1S/C27H37N3O2S/c1-3-30-22-6-8-33-24(22)12-23(30)26(32)29-7-4-5-21(16-29)25(31)28-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6,8,12,17-21H,3-5,7,9-11,13-16H2,1-2H3,(H,28,31)