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

Systemtic Name: S-[2-[(4-imidazol-1-ylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-(4-imidazol-1-ylanilino)-2-oxo-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate CAS Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-[4-(1-imidazolyl)anilino]-2-oxoethyl] ester IUPAC Name: S-[2-(4-imidazol-1-ylanilino)-2-oxoethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Traditional Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-(4-imidazol-1-ylanilino)-2-keto-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=CN=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H22N4O2S/c1-16-4-9-20-17(13-16)3-2-11-26(20)22(28)29-14-21(27)24-18-5-7-19(8-6-18)25-12-10-23-15-25/h4-10,12-13,15H,2-3,11,14H2,1H3,(H,24,27)