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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4-dichlorophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4-dichlorophenyl)acetamide Formula: C29H26Cl2N6O3S2 MolecularWeight: 641.59114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26Cl2N6O3S2/c1-29(2)11-21-25(22(38)12-29)24(15-4-7-17(40-3)8-5-15)18(13-32)26(33)37(21)27-35-36-28(42-27)41-14-23(39)34-20-9-6-16(30)10-19(20)31/h4-10,24H,11-12,14,33H2,1-3H3,(H,34,39)