1-cyclopropyl-6-fluoranyl-8-oxidanylidene-7-piperazin-1-yl-4,8a-dihydroquinoline-3-carbothioic S-acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-oxidanylidene-7-piperazin-1-yl-4,8a-dihydroquinoline-3-carbothioic S-acid Openeye Name: 1-cyclopropyl-6-fluoro-8-oxo-7-piperazin-1-yl-4,8a-dihydroquinoline-3-carbothioic S-acid CAS Name: 1-cyclopropyl-6-fluoro-8-oxo-7-(1-piperazinyl)-4,8a-dihydroquinoline-3-carbothioic S-acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-oxo-7-piperazin-1-yl-4,8a-dihydroquinoline-3-carbothioic S-acid Traditional Name: 1-cyclopropyl-6-fluoro-8-keto-7-piperazino-4,8a-dihydroquinoline-3-carbothioic S-acid Formula: C17H20FN3O2S MolecularWeight: 349.423003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(CC3=CC(=C(C(=O)C32)N4CCNCC4)F)C(=O)S

Isomeric SMILES

C1CC1N2C=C(CC3=CC(=C(C(=O)C32)N4CCNCC4)F)C(=O)S

InChI

InChI=1S/C17H20FN3O2S/c18-13-8-10-7-11(17(23)24)9-21(12-1-2-12)14(10)16(22)15(13)20-5-3-19-4-6-20/h8-9,12,14,19H,1-7H2,(H,23,24)