ethyl 4-[[4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H39N5O3S MolecularWeight: 465.65246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=S)NCCC3=CCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=S)NCCC3=CCCCC3

InChI

InChI=1S/C23H39N5O3S/c1-2-31-22(30)28-16-9-19(10-17-28)26-20(29)23(11-14-24-15-12-23)27-21(32)25-13-8-18-6-4-3-5-7-18/h6,19,24H,2-5,7-17H2,1H3,(H,26,29)(H2,25,27,32)