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

Systemtic Name: ethyl 2-[(1-butanoylpiperidin-4-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-butanoyl-4-piperidyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[[1-(1-oxobutyl)-4-piperidinyl]methylamino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-butanoylpiperidin-4-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-butyryl-4-piperidyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-3-7-18(26)25-12-10-15(11-13-25)14-23-22(28)24-20-19(21(27)29-4-2)16-8-5-6-9-17(16)30-20/h15H,3-14H2,1-2H3,(H2,23,24,28)