S-[(8-oxidanylquinolin-7-yl)methyl] N,N-dibutylcarbamothioate carbamothioate

Systemtic Name: S-[(8-oxidanylquinolin-7-yl)methyl] N,N-dibutylcarbamothioate carbamothioate Openeye Name: S-[(8-hydroxy-7-quinolyl)methyl] N,N-dibutylcarbamothioate carbamothioate CAS Name: N,N-dibutylcarbamothioic acid S-[(8-hydroxy-7-quinolinyl)methyl] ester carbamothioate IUPAC Name: S-[(8-hydroxyquinolin-7-yl)methyl] N,N-dibutylcarbamothioate carbamothioate Traditional Name: N,N-dibutylthiocarbamic acid S-[(8-hydroxy-7-quinolyl)methyl] ester thiocarbamate Formula: C20H28N3O3S2- MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)SCC1=C(C2=C(C=CC=N2)C=C1)O.C(=S)(N)[O-]

Isomeric SMILES

CCCCN(CCCC)C(=O)SCC1=C(C2=C(C=CC=N2)C=C1)O.C(=S)(N)[O-]

InChI

InChI=1S/C19H26N2O2S.CH3NOS/c1-3-5-12-21(13-6-4-2)19(23)24-14-16-10-9-15-8-7-11-20-17(15)18(16)22;2-1(3)4/h7-11,22H,3-6,12-14H2,1-2H3;(H3,2,3,4)/p-1