2-[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-[(1,1-dioxo-3-thiolanyl)-ethylamino]-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-1-methyl-ethyl]thio]cinchoninamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H27N3O4S2/c1-3-25(16-10-11-31(28,29)13-16)22(27)14(2)30-20-12-18(21(26)23-15-8-9-15)17-6-4-5-7-19(17)24-20/h4-7,12,14-16H,3,8-11,13H2,1-2H3,(H,23,26)