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

Systemtic Name: S-[2-[(4-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-(4-chloro-2-cyano-anilino)-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-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(4-chloro-2-cyanoanilino)-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-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=C(C=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=C(C=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H18ClN3O2S/c1-13-4-7-18-14(9-13)3-2-8-24(18)20(26)27-12-19(25)23-17-6-5-16(21)10-15(17)11-22/h4-7,9-10H,2-3,8,12H2,1H3,(H,23,25)