S-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate

Systemtic Name: S-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-oxo-2-(4-pyridylamino)ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate CAS Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-oxo-2-(pyridin-4-ylamino)ethyl] ester IUPAC Name: S-[2-oxo-2-(pyridin-4-ylamino)ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Traditional Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-keto-2-(4-pyridylamino)ethyl] ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC=NC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C18H19N3O2S/c1-13-4-5-16-14(11-13)3-2-10-21(16)18(23)24-12-17(22)20-15-6-8-19-9-7-15/h4-9,11H,2-3,10,12H2,1H3,(H,19,20,22)