2-(3-bromophenyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)thiocarbamoyl]cinchoninamide Formula: C21H16BrN5OS2 MolecularWeight: 498.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CCC1=NN=C(S1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H16BrN5OS2/c1-2-18-26-27-21(30-18)25-20(29)24-19(28)15-11-17(12-6-5-7-13(22)10-12)23-16-9-4-3-8-14(15)16/h3-11H,2H2,1H3,(H2,24,25,27,28,29)