ethyl 2-[(1-hexanoylpiperidin-4-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-hexanoylpiperidin-4-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-hexanoyl-4-piperidyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[[1-(1-oxohexyl)-4-piperidinyl]methylamino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-hexanoylpiperidin-4-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-caproyl-4-piperidyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H37N3O4S MolecularWeight: 463.63328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(CC1)CNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)N1CCC(CC1)CNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C24H37N3O4S/c1-3-5-6-11-20(28)27-14-12-17(13-15-27)16-25-24(30)26-22-21(23(29)31-4-2)18-9-7-8-10-19(18)32-22/h17H,3-16H2,1-2H3,(H2,25,26,30)