2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H20N4O5S MolecularWeight: 464.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N4O5S/c28-20(27-23(30)25-14-7-8-18-19(9-14)32-12-31-18)11-33-21-10-16(22(29)24-13-5-6-13)15-3-1-2-4-17(15)26-21/h1-4,7-10,13H,5-6,11-12H2,(H,24,29)(H2,25,27,28,30)