1-ethyl-6-fluoranyl-7-[(4-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[(4-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[(4-methoxyphenyl)carbamothioylamino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[(4-methoxyphenyl)carbamothioylamino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[(4-methoxyphenyl)thiocarbamoylamino]quinoline-3-carboxylic acid Formula: C20H18FN3O4S MolecularWeight: 415.438023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC(=S)NC3=CC=C(C=C3)OC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC(=S)NC3=CC=C(C=C3)OC)F)C(=O)O

InChI

InChI=1S/C20H18FN3O4S/c1-3-24-10-14(19(26)27)18(25)13-8-15(21)16(9-17(13)24)23-20(29)22-11-4-6-12(28-2)7-5-11/h4-10H,3H2,1-2H3,(H,26,27)(H2,22,23,29)