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

Systemtic Name: 2-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)Cl

InChI

InChI=1S/C22H20ClN3O3S/c1-29-19-9-8-14(10-17(19)23)24-20(27)12-30-21-11-16(22(28)25-13-6-7-13)15-4-2-3-5-18(15)26-21/h2-5,8-11,13H,6-7,12H2,1H3,(H,24,27)(H,25,28)