azanyl 2-azanyl-3-[(4-fluorophenyl)methyl]-2-methanethioyl-piperidine-1-carboxylate

Systemtic Name: azanyl 2-azanyl-3-[(4-fluorophenyl)methyl]-2-methanethioyl-piperidine-1-carboxylate Openeye Name: amino 2-amino-3-[(4-fluorophenyl)methyl]-2-methanethioyl-piperidine-1-carboxylate CAS Name: 2-amino-3-[(4-fluorophenyl)methyl]-2-methanethioyl-1-piperidinecarboxylic acid amino ester IUPAC Name: amino 2-amino-3-[(4-fluorophenyl)methyl]-2-methanethioylpiperidine-1-carboxylate Traditional Name: 2-amino-3-(4-fluorobenzyl)-2-thioformyl-piperidine-1-carboxylic acid amino ester Formula: C14H18FN3O2S MolecularWeight: 311.375023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)ON)(C=S)N)CC2=CC=C(C=C2)F

Isomeric SMILES

C1CC(C(N(C1)C(=O)ON)(C=S)N)CC2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FN3O2S/c15-12-5-3-10(4-6-12)8-11-2-1-7-18(13(19)20-17)14(11,16)9-21/h3-6,9,11H,1-2,7-8,16-17H2