S-[2-oxidanylidene-2-[(4-pyrazol-1-ylphenyl)amino]ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate

Systemtic Name: S-[2-oxidanylidene-2-[(4-pyrazol-1-ylphenyl)amino]ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-oxo-2-(4-pyrazol-1-ylanilino)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-[4-(1-pyrazolyl)anilino]ethyl] ester IUPAC Name: S-[2-oxo-2-(4-pyrazol-1-ylanilino)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-pyrazol-1-ylanilino)ethyl] ester Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H22N4O2S/c1-16-5-10-20-17(14-16)4-2-12-25(20)22(28)29-15-21(27)24-18-6-8-19(9-7-18)26-13-3-11-23-26/h3,5-11,13-14H,2,4,12,15H2,1H3,(H,24,27)