5-azanyl-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 5-azanyl-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 5-amino-7-(4-carbamothioyl-1-piperazinyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(4-thiocarbamoylpiperazino)quinoline-3-carboxylate Formula: C18H18F2N5O3S- MolecularWeight: 422.429026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCN(CC4)C(=S)N)F)C(=O)[O-]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCN(CC4)C(=S)N)F)C(=O)[O-]

InChI

InChI=1S/C18H19F2N5O3S/c19-11-13(21)10-14(25(8-1-2-8)7-9(16(10)26)17(27)28)12(20)15(11)23-3-5-24(6-4-23)18(22)29/h7-8H,1-6,21H2,(H2,22,29)(H,27,28)/p-1