2-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H22BrN3O2S/c1-14(15-6-8-16(24)9-7-15)25-21(28)13-30-22-12-19(23(29)26-17-10-11-17)18-4-2-3-5-20(18)27-22/h2-9,12,14,17H,10-11,13H2,1H3,(H,25,28)(H,26,29)