1-cyclopropyl-6-fluoranyl-7-[(4-nitrophenyl)carbamothioyl-(2-pyrrolidin-1-ylethyl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[(4-nitrophenyl)carbamothioyl-(2-pyrrolidin-1-ylethyl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[(4-nitrophenyl)carbamothioyl-(2-pyrrolidin-1-ylethyl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[[(4-nitroanilino)-sulfanylidenemethyl]-[2-(1-pyrrolidinyl)ethyl]amino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(4-nitrophenyl)carbamothioyl-(2-pyrrolidin-1-ylethyl)amino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[(4-nitrophenyl)thiocarbamoyl-(2-pyrrolidinoethyl)amino]quinoline-3-carboxylic acid Formula: C26H26FN5O5S MolecularWeight: 539.578543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C(=S)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCN(C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C(=S)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H26FN5O5S/c27-21-13-19-22(31(17-7-8-17)15-20(24(19)33)25(34)35)14-23(21)30(12-11-29-9-1-2-10-29)26(38)28-16-3-5-18(6-4-16)32(36)37/h3-6,13-15,17H,1-2,7-12H2,(H,28,38)(H,34,35)