2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H20ClN3O2S/c1-13-17(23)6-4-8-18(13)25-20(27)12-29-21-11-16(22(28)24-14-9-10-14)15-5-2-3-7-19(15)26-21/h2-8,11,14H,9-10,12H2,1H3,(H,24,28)(H,25,27)