2-[3-(2-methylpropoxy)phenyl]-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-[3-(2-methylpropoxy)phenyl]-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(3-isobutoxyphenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-[3-(2-methylpropoxy)phenyl]-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-[3-(2-methylpropoxy)phenyl]-N-[(thiophene-2-carbonylamino)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(3-isobutoxyphenyl)-N-[(2-thenoylamino)thiocarbamoyl]cinchoninamide Formula: C26H24N4O3S2 MolecularWeight: 504.62376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NNC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NNC(=O)C4=CC=CS4

InChI

InChI=1S/C26H24N4O3S2/c1-16(2)15-33-18-8-5-7-17(13-18)22-14-20(19-9-3-4-10-21(19)27-22)24(31)28-26(34)30-29-25(32)23-11-6-12-35-23/h3-14,16H,15H2,1-2H3,(H,29,32)(H2,28,30,31,34)