S-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate

Systemtic Name: S-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-oxo-2-(5-quinolylamino)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-(5-quinolinylamino)ethyl] ester IUPAC Name: S-[2-oxo-2-(quinolin-5-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-(5-quinolylamino)ethyl] ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H21N3O2S/c1-15-9-10-20-16(13-15)5-4-12-25(20)22(27)28-14-21(26)24-19-8-2-7-18-17(19)6-3-11-23-18/h2-3,6-11,13H,4-5,12,14H2,1H3,(H,24,26)