N-(4-methyl-2-nitro-phenyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-(2-thienyl)cinchoninamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c1-13-8-9-17(19(11-13)24(26)27)23-21(25)15-12-18(20-7-4-10-28-20)22-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,23,25)