ethyl 4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]benzoate CAS Name: 4-[[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]benzoate Traditional Name: 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2C(CCC3=C2C=CC(=C3)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2C(CCC3=C2C=CC(=C3)F)C

InChI

InChI=1S/C20H21FN2O2S/c1-3-25-19(24)14-6-9-17(10-7-14)22-20(26)23-13(2)4-5-15-12-16(21)8-11-18(15)23/h6-13H,3-5H2,1-2H3,(H,22,26)