2-[(4-aminocarbonylphenyl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[(4-aminocarbonylphenyl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(4-carbamoylphenyl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[(4-carbamoylphenyl)methylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(4-carbamoylphenyl)methylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[(4-carbamoylbenzyl)thio]-N-cyclopropyl-cinchoninamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H19N3O2S/c22-20(25)14-7-5-13(6-8-14)12-27-19-11-17(21(26)23-15-9-10-15)16-3-1-2-4-18(16)24-19/h1-8,11,15H,9-10,12H2,(H2,22,25)(H,23,26)