tert-butyl 2-[1-[(2S)-2-[(4-carbamothioylphenyl)carbonylamino]propanoyl]piperidin-4-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[1-[(2S)-2-[(4-carbamothioylphenyl)carbonylamino]propanoyl]piperidin-4-yl]oxyethanoate Openeye Name: tert-butyl 2-[[1-[(2S)-2-[(4-carbamothioylbenzoyl)amino]propanoyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[(2S)-2-[[(4-carbamothioylphenyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[(2S)-2-[(4-carbamothioylbenzoyl)amino]propanoyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[(2S)-2-[(4-thiocarbamoylbenzoyl)amino]propanoyl]-4-piperidyl]oxy]acetic acid tert-butyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)OCC(=O)OC(C)(C)C)NC(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)OCC(=O)OC(C)(C)C)NC(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C22H31N3O5S/c1-14(24-20(27)16-7-5-15(6-8-16)19(23)31)21(28)25-11-9-17(10-12-25)29-13-18(26)30-22(2,3)4/h5-8,14,17H,9-13H2,1-4H3,(H2,23,31)(H,24,27)/t14-/m0/s1