tert-butyl 4-[[1-[(1-cyanocyclopentyl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]carbamothioylcarbamoyloxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-[(1-cyanocyclopentyl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]carbamothioylcarbamoyloxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-[(1-cyanocyclopentyl)carbamoyl]-3,3-dimethyl-butyl]carbamothioylcarbamoyloxy]piperidine-1-carboxylate CAS Name: 4-[[[[[1-[(1-cyanocyclopentyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-sulfanylidenemethyl]amino]-oxomethoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[(1-cyanocyclopentyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamothioylcarbamoyloxy]piperidine-1-carboxylate Traditional Name: 4-[[1-[(1-cyanocyclopentyl)carbamoyl]-3,3-dimethyl-butyl]thiocarbamoylcarbamoyloxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H41N5O5S MolecularWeight: 523.68854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NC1(CCCC1)C#N)NC(=S)NC(=O)OC2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)CC(C(=O)NC1(CCCC1)C#N)NC(=S)NC(=O)OC2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H41N5O5S/c1-23(2,3)15-18(19(31)29-25(16-26)11-7-8-12-25)27-20(36)28-21(32)34-17-9-13-30(14-10-17)22(33)35-24(4,5)6/h17-18H,7-15H2,1-6H3,(H,29,31)(H2,27,28,32,36)