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

Systemtic Name: 2-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[cyclopropyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[cyclopropyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl]thio]cinchoninamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N(C4CC4)C5CCS(=O)(=O)C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N(C4CC4)C5CCS(=O)(=O)C5

InChI

InChI=1S/C22H25N3O4S2/c26-21(25(15-7-8-15)16-9-10-31(28,29)13-16)12-30-20-11-18(22(27)23-14-5-6-14)17-3-1-2-4-19(17)24-20/h1-4,11,14-16H,5-10,12-13H2,(H,23,27)