2-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(4-bromo-2-chloro-anilino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C21H17BrClN3O2S MolecularWeight: 490.80058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C21H17BrClN3O2S/c22-12-5-8-18(16(23)9-12)25-19(27)11-29-20-10-15(21(28)24-13-6-7-13)14-3-1-2-4-17(14)26-20/h1-5,8-10,13H,6-7,11H2,(H,24,28)(H,25,27)