2-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[1-(4-bromoanilino)-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-bromoanilino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H20BrN3O2S/c1-13(21(27)24-15-8-6-14(23)7-9-15)29-20-12-18(22(28)25-16-10-11-16)17-4-2-3-5-19(17)26-20/h2-9,12-13,16H,10-11H2,1H3,(H,24,27)(H,25,28)