2-[(3,5-dimethylphenyl)amino]-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(3,5-dimethylanilino)-N-(2-thienylmethyl)quinoline-4-carboxamide CAS Name: 2-(3,5-dimethylanilino)-N-(thiophen-2-ylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(3,5-dimethylanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(3,5-dimethylanilino)-N-(2-thenyl)cinchoninamide Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CS4)C

InChI

InChI=1S/C23H21N3OS/c1-15-10-16(2)12-17(11-15)25-22-13-20(19-7-3-4-8-21(19)26-22)23(27)24-14-18-6-5-9-28-18/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)