N-cyclopropyl-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinoline-4-carboxamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-cyclopropyl-cinchoninamide Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H22N2O3S/c1-14(26)15-7-10-21(28-2)16(11-15)13-29-22-12-19(23(27)24-17-8-9-17)18-5-3-4-6-20(18)25-22/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,24,27)