tert-butyl 4-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamothioylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamothioylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamothioylamino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamothioylamino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiocarbamoylamino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H36N4O3S MolecularWeight: 412.58984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)NNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H36N4O3S/c1-13-7-6-8-16(14(13)2)21-18(28)23-22-17(25)15-9-11-24(12-10-15)19(26)27-20(3,4)5/h13-16H,6-12H2,1-5H3,(H,22,25)(H2,21,23,28)/t13-,14+,16+/m0/s1