2-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-isopropyl-quinoline-4-carboxamide CAS Name: 2-propan-2-yl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-isopropyl-cinchoninamide Formula: C18H18N4OS2 MolecularWeight: 370.49172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C18H18N4OS2/c1-4-9-24-18-22-21-17(25-18)20-16(23)13-10-15(11(2)3)19-14-8-6-5-7-12(13)14/h4-8,10-11H,1,9H2,2-3H3,(H,20,21,23)