ethyl 4-[[2-[(5-ethylfuran-2-yl)methylamino]pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(5-ethylfuran-2-yl)methylamino]pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(5-ethyl-2-furyl)methylamino]-3-pyridyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[2-[(5-ethyl-2-furanyl)methylamino]-3-pyridinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-ethylfuran-2-yl)methylamino]pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(5-ethyl-2-furyl)methylamino]-3-pyridyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CNC2=C(C=CC=N2)NC(=S)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(O1)CNC2=C(C=CC=N2)NC(=S)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H29N5O3S/c1-3-16-7-8-17(29-16)14-23-19-18(6-5-11-22-19)25-20(30)24-15-9-12-26(13-10-15)21(27)28-4-2/h5-8,11,15H,3-4,9-10,12-14H2,1-2H3,(H,22,23)(H2,24,25,30)