tert-butyl 4-[(pentylcarbamothioylamino)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(pentylcarbamothioylamino)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(pentylcarbamothioylamino)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[(pentylamino)-sulfanylidenemethyl]hydrazo]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(pentylcarbamothioylamino)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(amylthiocarbamoylamino)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H32N4O3S MolecularWeight: 372.52598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H32N4O3S/c1-5-6-7-10-18-15(25)20-19-14(22)13-8-11-21(12-9-13)16(23)24-17(2,3)4/h13H,5-12H2,1-4H3,(H,19,22)(H2,18,20,25)