4-(5-fluoranylbenzotriazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-carbothioamide

Systemtic Name: 4-(5-fluoranylbenzotriazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-carbothioamide Openeye Name: 4-(5-fluorobenzotriazol-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidine-1-carbothioamide CAS Name: 4-(5-fluoro-1-benzotriazolyl)-N-[[(2R)-2-oxolanyl]methyl]-1-piperidinecarbothioamide IUPAC Name: 4-(5-fluorobenzotriazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-carbothioamide Traditional Name: 4-(5-fluorobenzotriazol-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidine-1-carbothioamide Formula: C17H22FN5OS MolecularWeight: 363.452883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

InChI

InChI=1S/C17H22FN5OS/c18-12-3-4-16-15(10-12)20-21-23(16)13-5-7-22(8-6-13)17(25)19-11-14-2-1-9-24-14/h3-4,10,13-14H,1-2,5-9,11H2,(H,19,25)/t14-/m1/s1