2-(4-methylphenyl)-N-[[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-methylphenyl)-N-[[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]carbamothioyl]quinoline-4-carboxamide Openeye Name: N-[(2-morpholinosulfonyl-4-nitro-anilino)carbamothioyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-[[[2-(4-morpholinylsulfonyl)-4-nitrophenyl]hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-[(2-morpholin-4-ylsulfonyl-4-nitroanilino)carbamothioyl]quinoline-4-carboxamide Traditional Name: N-[(2-morpholinosulfonyl-4-nitro-anilino)thiocarbamoyl]-2-(p-tolyl)cinchoninamide Formula: C28H26N6O6S2 MolecularWeight: 606.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NNC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NNC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C28H26N6O6S2/c1-18-6-8-19(9-7-18)25-17-22(21-4-2-3-5-23(21)29-25)27(35)30-28(41)32-31-24-11-10-20(34(36)37)16-26(24)42(38,39)33-12-14-40-15-13-33/h2-11,16-17,31H,12-15H2,1H3,(H2,30,32,35,41)