[1-(3-methylbutanoylcarbamothioyl)-3,4-dihydro-2H-quinolin-6-yl] thiocyanate

Systemtic Name: [1-(3-methylbutanoylcarbamothioyl)-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Openeye Name: [1-(3-methylbutanoylcarbamothioyl)-3,4-dihydro-2H-quinolin-6-yl] thiocyanate CAS Name: thiocyanic acid [1-[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]-3,4-dihydro-2H-quinolin-6-yl] ester IUPAC Name: [1-(3-methylbutanoylcarbamothioyl)-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Traditional Name: thiocyanic acid [1-(isovalerylthiocarbamoyl)-3,4-dihydro-2H-quinolin-6-yl] ester Formula: C16H19N3OS2 MolecularWeight: 333.47156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)N1CCCC2=C1C=CC(=C2)SC#N

Isomeric SMILES

CC(C)CC(=O)NC(=S)N1CCCC2=C1C=CC(=C2)SC#N

InChI

InChI=1S/C16H19N3OS2/c1-11(2)8-15(20)18-16(21)19-7-3-4-12-9-13(22-10-17)5-6-14(12)19/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,18,20,21)