7-[3-(carbamothioylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(carbamothioylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(carbamothioylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(carbamothioylamino)-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(carbamothioylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(3-thioureidopyrrolidino)quinoline-3-carboxylic acid Formula: C18H18F2N4O3S MolecularWeight: 408.422326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)NC(=S)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)NC(=S)N)F)C(=O)O

InChI

InChI=1S/C18H18F2N4O3S/c19-12-5-10-14(24(9-1-2-9)7-11(16(10)25)17(26)27)13(20)15(12)23-4-3-8(6-23)22-18(21)28/h5,7-9H,1-4,6H2,(H,26,27)(H3,21,22,28)