2-[[5-[2-azanyl-3-cyano-4-(4-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(4-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4-dimethoxyphenyl)acetamide Formula: C28H25FN6O4S2 MolecularWeight: 592.664303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)F)C(=O)CCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)F)C(=O)CCC4)OC

InChI

InChI=1S/C28H25FN6O4S2/c1-38-17-10-11-19(22(12-17)39-2)32-23(37)14-40-28-34-33-27(41-28)35-20-4-3-5-21(36)25(20)24(18(13-30)26(35)31)15-6-8-16(29)9-7-15/h6-12,24H,3-5,14,31H2,1-2H3,(H,32,37)