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

Systemtic Name: 2-[[5-[2-azanyl-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[5-[2-amino-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[5-[2-amino-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[5-[2-amino-4-(2-chlorophenyl)-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C29H27ClN6O3S2 MolecularWeight: 607.14608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC(=CC=C4)OC)N)C#N)C5=CC=CC=C5Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC(=CC=C4)OC)N)C#N)C5=CC=CC=C5Cl)C(=O)C1)C

InChI

InChI=1S/C29H27ClN6O3S2/c1-29(2)12-21-25(22(37)13-29)24(18-9-4-5-10-20(18)30)19(14-31)26(32)36(21)27-34-35-28(41-27)40-15-23(38)33-16-7-6-8-17(11-16)39-3/h4-11,24H,12-13,15,32H2,1-3H3,(H,33,38)