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

Systemtic Name: ethyl 4-[[2-(furan-3-ylmethylamino)phenyl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(3-furylmethylamino)phenyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[2-(3-furanylmethylamino)anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(furan-3-ylmethylamino)phenyl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-(3-furfurylamino)phenyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2NCC3=COC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2NCC3=COC=C3

InChI

InChI=1S/C20H26N4O3S/c1-2-27-20(25)24-10-7-16(8-11-24)22-19(28)23-18-6-4-3-5-17(18)21-13-15-9-12-26-14-15/h3-6,9,12,14,16,21H,2,7-8,10-11,13H2,1H3,(H2,22,23,28)