azanyl 2,3-bis(azanyl)-4-[(5-ethylfuran-2-yl)methyl]-2-methanethioyl-3-pyridin-3-yl-piperidine-1-carboxylate

Systemtic Name: azanyl 2,3-bis(azanyl)-4-[(5-ethylfuran-2-yl)methyl]-2-methanethioyl-3-pyridin-3-yl-piperidine-1-carboxylate Openeye Name: amino 2,3-diamino-4-[(5-ethyl-2-furyl)methyl]-2-methanethioyl-3-(3-pyridyl)piperidine-1-carboxylate CAS Name: 2,3-diamino-4-[(5-ethyl-2-furanyl)methyl]-2-methanethioyl-3-(3-pyridinyl)-1-piperidinecarboxylic acid amino ester IUPAC Name: amino 2,3-diamino-4-[(5-ethylfuran-2-yl)methyl]-2-methanethioyl-3-pyridin-3-ylpiperidine-1-carboxylate Traditional Name: 2,3-diamino-4-[(5-ethyl-2-furyl)methyl]-3-(3-pyridyl)-2-thioformyl-piperidine-1-carboxylic acid amino ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CC2CCN(C(C2(C3=CN=CC=C3)N)(C=S)N)C(=O)ON

Isomeric SMILES

CCC1=CC=C(O1)CC2CCN(C(C2(C3=CN=CC=C3)N)(C=S)N)C(=O)ON

InChI

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