2-[(3-methylsulfanylphenyl)amino]-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(3-methylsulfanylanilino)-N-(2-thienylmethyl)quinoline-4-carboxamide CAS Name: 2-[3-(methylthio)anilino]-N-(thiophen-2-ylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-methylsulfanylanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-[3-(methylthio)anilino]-N-(2-thenyl)cinchoninamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CS4

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H19N3OS2/c1-27-16-7-4-6-15(12-16)24-21-13-19(18-9-2-3-10-20(18)25-21)22(26)23-14-17-8-5-11-28-17/h2-13H,14H2,1H3,(H,23,26)(H,24,25)