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

Systemtic Name: ethyl 4-[[4-[[5-(hydroxymethyl)furan-2-yl]methylamino]pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[5-(hydroxymethyl)-2-furyl]methylamino]-3-pyridyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[4-[[5-(hydroxymethyl)-2-furanyl]methylamino]-3-pyridinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[5-(hydroxymethyl)furan-2-yl]methylamino]pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(5-methylol-2-furyl)methylamino]-3-pyridyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CN=C2)NCC3=CC=C(O3)CO

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CN=C2)NCC3=CC=C(O3)CO

InChI

InChI=1S/C20H27N5O4S/c1-2-28-20(27)25-9-6-14(7-10-25)23-19(30)24-18-12-21-8-5-17(18)22-11-15-3-4-16(13-26)29-15/h3-5,8,12,14,26H,2,6-7,9-11,13H2,1H3,(H,21,22)(H2,23,24,30)