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

Systemtic Name: S-[2-[(4-aminocarbonyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-(4-carbamoyl-2-chloro-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-carbamoyl-2-chloroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(4-carbamoyl-2-chloroanilino)-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-carbamoyl-2-chloro-anilino)-2-keto-ethyl] ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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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)C(=O)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-12-4-7-17-13(9-12)3-2-8-24(17)20(27)28-11-18(25)23-16-6-5-14(19(22)26)10-15(16)21/h4-7,9-10H,2-3,8,11H2,1H3,(H2,22,26)(H,23,25)