1-cyclopropyl-6-fluoranyl-7-piperazin-1-yl-4-sulfanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-piperazin-1-yl-4-sulfanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-thioxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-(1-piperazinyl)-4-sulfanylidene-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-sulfanylidenequinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-piperazino-4-thioxo-quinoline-3-carboxylic acid Formula: C17H18FN3O2S MolecularWeight: 347.407123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=S)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=S)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C17H18FN3O2S/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)24)17(22)23/h7-10,19H,1-6H2,(H,22,23)