tert-butyl 2-[4-[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]carbonylamino]-3-oxidanylidene-piperidin-1-yl]benzoate

Systemtic Name: tert-butyl 2-[4-[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]carbonylamino]-3-oxidanylidene-piperidin-1-yl]benzoate Openeye Name: tert-butyl 2-[4-[[1-(benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-3-oxo-1-piperidyl]benzoate CAS Name: 2-[4-[[[1-[[1-benzothiophen-2-yl(oxo)methyl]amino]cyclohexyl]-oxomethyl]amino]-3-oxo-1-piperidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[1-(1-benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-3-oxopiperidin-1-yl]benzoate Traditional Name: 2-[4-[[1-(benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-3-keto-piperidino]benzoic acid tert-butyl ester Formula: C32H37N3O5S MolecularWeight: 575.71828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1N2CCC(C(=O)C2)NC(=O)C3(CCCCC3)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1N2CCC(C(=O)C2)NC(=O)C3(CCCCC3)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C32H37N3O5S/c1-31(2,3)40-29(38)22-12-6-7-13-24(22)35-18-15-23(25(36)20-35)33-30(39)32(16-9-4-10-17-32)34-28(37)27-19-21-11-5-8-14-26(21)41-27/h5-8,11-14,19,23H,4,9-10,15-18,20H2,1-3H3,(H,33,39)(H,34,37)