carbamothioyl 2-azanyl-2-[2-(furan-2-ylmethylamino)pyridin-3-yl]piperidine-1-carboxylate

Systemtic Name: carbamothioyl 2-azanyl-2-[2-(furan-2-ylmethylamino)pyridin-3-yl]piperidine-1-carboxylate Openeye Name: carbamothioyl 2-amino-2-[2-(2-furylmethylamino)-3-pyridyl]piperidine-1-carboxylate CAS Name: 2-amino-2-[2-(2-furanylmethylamino)-3-pyridinyl]-1-piperidinecarboxylic acid carbamothioyl ester IUPAC Name: carbamothioyl 2-amino-2-[2-(furan-2-ylmethylamino)pyridin-3-yl]piperidine-1-carboxylate Traditional Name: 2-amino-2-[2-(2-furfurylamino)-3-pyridyl]piperidine-1-carboxylic acid thiocarbamoyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C2=C(N=CC=C2)NCC3=CC=CO3)N)C(=O)OC(=S)N

Isomeric SMILES

C1CCN(C(C1)(C2=C(N=CC=C2)NCC3=CC=CO3)N)C(=O)OC(=S)N

InChI

InChI=1S/C17H21N5O3S/c18-15(26)25-16(23)22-9-2-1-7-17(22,19)13-6-3-8-20-14(13)21-11-12-5-4-10-24-12/h3-6,8,10H,1-2,7,9,11,19H2,(H2,18,26)(H,20,21)