tert-butyl 2-[4-[4-(4-carbamothioylphenyl)piperidin-1-yl]piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(4-carbamothioylphenyl)piperidin-1-yl]piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(4-carbamothioylphenyl)-1-piperidyl]-1-piperidyl]acetate CAS Name: 2-[4-[4-(4-carbamothioylphenyl)-1-piperidinyl]-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(4-carbamothioylphenyl)piperidin-1-yl]piperidin-1-yl]acetate Traditional Name: 2-[4-[4-(4-thiocarbamoylphenyl)piperidino]piperidino]acetic acid tert-butyl ester Formula: C23H35N3O2S MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC(CC1)N2CCC(CC2)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC(CC1)N2CCC(CC2)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C23H35N3O2S/c1-23(2,3)28-21(27)16-25-12-10-20(11-13-25)26-14-8-18(9-15-26)17-4-6-19(7-5-17)22(24)29/h4-7,18,20H,8-16H2,1-3H3,(H2,24,29)