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

Systemtic Name: S-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-(4-acetamidoanilino)-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-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(4-acetamidoanilino)-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-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-14-5-10-19-16(12-14)4-3-11-24(19)21(27)28-13-20(26)23-18-8-6-17(7-9-18)22-15(2)25/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,25)(H,23,26)