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

Systemtic Name: ethyl 4-[[2-(furan-2-ylmethylamino)pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-furylmethylamino)-3-pyridyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[2-(2-furanylmethylamino)-3-pyridinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(furan-2-ylmethylamino)pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-(2-furfurylamino)-3-pyridyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(N=CC=C2)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(N=CC=C2)NCC3=CC=CO3

InChI

InChI=1S/C19H25N5O3S/c1-2-26-19(25)24-10-7-14(8-11-24)22-18(28)23-16-6-3-9-20-17(16)21-13-15-5-4-12-27-15/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3,(H,20,21)(H2,22,23,28)