N-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[(4-fluorobenzyl)-methyl-amino]-2-keto-ethyl]thio]cinchoninamide Formula: C23H22FN3O2S MolecularWeight: 423.503083

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H22FN3O2S/c1-27(13-15-6-8-16(24)9-7-15)22(28)14-30-21-12-19(23(29)25-17-10-11-17)18-4-2-3-5-20(18)26-21/h2-9,12,17H,10-11,13-14H2,1H3,(H,25,29)