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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(o-tolyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-7,7-dimethyl-4-(o-tolyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-chlorophenyl)acetamide Formula: C29H27ClN6O2S2 MolecularWeight: 591.14668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)NC5=CC(=CC=C5)Cl)N)C#N

Isomeric SMILES

CC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)NC5=CC(=CC=C5)Cl)N)C#N

InChI

InChI=1S/C29H27ClN6O2S2/c1-16-7-4-5-10-19(16)24-20(14-31)26(32)36(21-12-29(2,3)13-22(37)25(21)24)27-34-35-28(40-27)39-15-23(38)33-18-9-6-8-17(30)11-18/h4-11,24H,12-13,15,32H2,1-3H3,(H,33,38)