N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(3-isopropoxyphenyl)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(3-isopropoxyphenyl)-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]cinchoninamide Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O4S/c1-16(2)35-20-8-6-7-18(13-20)25-15-22(21-9-4-5-10-23(21)28-25)26(32)30-27(36)29-24-14-19(31(33)34)12-11-17(24)3/h4-16H,1-3H3,(H2,29,30,32,36)