[3-methyl-2-oxidanylidene-3-(quinolin-3-ylcarbonylamino)pentyl] thiocyanate

Systemtic Name: [3-methyl-2-oxidanylidene-3-(quinolin-3-ylcarbonylamino)pentyl] thiocyanate Openeye Name: [3-methyl-2-oxo-3-(quinoline-3-carbonylamino)pentyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-2-oxo-3-[[oxo(3-quinolinyl)methyl]amino]pentyl] ester IUPAC Name: [3-methyl-2-oxo-3-(quinoline-3-carbonylamino)pentyl] thiocyanate Traditional Name: thiocyanic acid [2-keto-3-methyl-3-(quinoline-3-carbonylamino)pentyl] ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)CSC#N)NC(=O)C1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CCC(C)(C(=O)CSC#N)NC(=O)C1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C17H17N3O2S/c1-3-17(2,15(21)10-23-11-18)20-16(22)13-8-12-6-4-5-7-14(12)19-9-13/h4-9H,3,10H2,1-2H3,(H,20,22)