ethyl 4-[[2-(pyridin-2-ylmethylamino)pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(pyridin-2-ylmethylamino)pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-pyridylmethylamino)-3-pyridyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[2-(2-pyridinylmethylamino)-3-pyridinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(pyridin-2-ylmethylamino)pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-(2-pyridylmethylamino)-3-pyridyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H26N6O2S MolecularWeight: 414.52444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(N=CC=C2)NCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(N=CC=C2)NCC3=CC=CC=N3

InChI

InChI=1S/C20H26N6O2S/c1-2-28-20(27)26-12-8-15(9-13-26)24-19(29)25-17-7-5-11-22-18(17)23-14-16-6-3-4-10-21-16/h3-7,10-11,15H,2,8-9,12-14H2,1H3,(H,22,23)(H2,24,25,29)