N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-2-(2-quinolylsulfanyl)butanamide CAS Name: N-[4-(4-chlorophenyl)-2-thiazolyl]-2-(2-quinolinylthio)butanamide IUPAC Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-2-(2-quinolylthio)butyramide Formula: C22H18ClN3OS2 MolecularWeight: 439.98082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Cl)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Cl)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H18ClN3OS2/c1-2-19(29-20-12-9-14-5-3-4-6-17(14)24-20)21(27)26-22-25-18(13-28-22)15-7-10-16(23)11-8-15/h3-13,19H,2H2,1H3,(H,25,26,27)