2-[[5-[2-azanyl-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[5-[2-azanyl-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-fluoro-2-methyl-phenyl)acetamide Formula: C29H26ClFN6O2S2 MolecularWeight: 609.137143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)Cl)C(=O)CC(C4)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)Cl)C(=O)CC(C4)(C)C

InChI

InChI=1S/C29H26ClFN6O2S2/c1-15-4-9-18(31)10-20(15)34-23(39)14-40-28-36-35-27(41-28)37-21-11-29(2,3)12-22(38)25(21)24(19(13-32)26(37)33)16-5-7-17(30)8-6-16/h4-10,24H,11-12,14,33H2,1-3H3,(H,34,39)