1-ethanoyl-N-[3-(furan-2-ylmethylcarbamoyl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-ethanoyl-N-[3-(furan-2-ylmethylcarbamoyl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[6-(1,1-dimethylpropyl)-3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-[(2-furanylmethylamino)-oxomethyl]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-(furan-2-ylmethylcarbamoyl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[6-tert-amyl-3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonipecotamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4CCN(CC4)C(=O)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4CCN(CC4)C(=O)C

InChI

InChI=1S/C27H37N3O4S/c1-5-27(3,4)19-8-9-21-22(15-19)35-26(23(21)25(33)28-16-20-7-6-14-34-20)29-24(32)18-10-12-30(13-11-18)17(2)31/h6-7,14,18-19H,5,8-13,15-16H2,1-4H3,(H,28,33)(H,29,32)