tert-butyl 2-[1-[(2S)-1-(4-carbamothioylphenyl)carbonylpyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[1-[(2S)-1-(4-carbamothioylphenyl)carbonylpyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoate Openeye Name: tert-butyl 2-[[1-[(2S)-1-(4-carbamothioylbenzoyl)pyrrolidine-2-carbonyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[[(2S)-1-[(4-carbamothioylphenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[(2S)-1-(4-carbamothioylbenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[(2S)-1-(4-thiocarbamoylbenzoyl)prolyl]-4-piperidyl]oxy]acetic acid tert-butyl ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)C2CCCN2C(=O)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C24H33N3O5S/c1-24(2,3)32-20(28)15-31-18-10-13-26(14-11-18)23(30)19-5-4-12-27(19)22(29)17-8-6-16(7-9-17)21(25)33/h6-9,18-19H,4-5,10-15H2,1-3H3,(H2,25,33)/t19-/m0/s1