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-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)acetamide Formula: C30H29ClN6O4S2 MolecularWeight: 637.17206

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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=CC(=C4)OC)OC)N)C#N)C5=CC=C(C=C5)Cl)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C30H29ClN6O4S2/c1-30(2)12-21-26(22(38)13-30)25(16-5-7-17(31)8-6-16)19(14-32)27(33)37(21)28-35-36-29(43-28)42-15-24(39)34-20-11-18(40-3)9-10-23(20)41-4/h5-11,25H,12-13,15,33H2,1-4H3,(H,34,39)