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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-5-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C29H27FN6O5S2 MolecularWeight: 622.690283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)F)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)F)N)C#N

InChI

InChI=1S/C29H27FN6O5S2/c1-39-21-11-15(12-22(40-2)26(21)41-3)24-18(13-31)27(32)36(19-5-4-6-20(37)25(19)24)28-34-35-29(43-28)42-14-23(38)33-17-9-7-16(30)8-10-17/h7-12,24H,4-6,14,32H2,1-3H3,(H,33,38)