tert-butyl 4-[4-[(1-tert-butylpiperidin-4-yl)carbamoylsulfanyl]phenyl]piperazine-1-carboxylate ethanoate

Systemtic Name: tert-butyl 4-[4-[(1-tert-butylpiperidin-4-yl)carbamoylsulfanyl]phenyl]piperazine-1-carboxylate ethanoate Openeye Name: tert-butyl 4-[4-[(1-tert-butyl-4-piperidyl)carbamoylsulfanyl]phenyl]piperazine-1-carboxylate acetate CAS Name: 4-[4-[[[(1-tert-butyl-4-piperidinyl)amino]-oxomethyl]thio]phenyl]-1-piperazinecarboxylic acid tert-butyl ester acetate IUPAC Name: tert-butyl 4-[4-[(1-tert-butylpiperidin-4-yl)carbamoylsulfanyl]phenyl]piperazine-1-carboxylate acetate Traditional Name: 4-[4-[(1-tert-butyl-4-piperidyl)carbamoylthio]phenyl]piperazine-1-carboxylic acid tert-butyl ester acetate Formula: C27H43N4O5S- MolecularWeight: 535.71912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)N1CCC(CC1)NC(=O)SC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)[O-].CC(C)(C)N1CCC(CC1)NC(=O)SC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H40N4O3S.C2H4O2/c1-24(2,3)29-13-11-19(12-14-29)26-22(30)33-21-9-7-20(8-10-21)27-15-17-28(18-16-27)23(31)32-25(4,5)6;1-2(3)4/h7-10,19H,11-18H2,1-6H3,(H,26,30);1H3,(H,3,4)/p-1