2-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(cyclohexylcarbamoylamino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H26N4O3S/c27-19(26-22(29)24-14-6-2-1-3-7-14)13-30-20-12-17(21(28)23-15-10-11-15)16-8-4-5-9-18(16)25-20/h4-5,8-9,12,14-15H,1-3,6-7,10-11,13H2,(H,23,28)(H2,24,26,27,29)