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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(4-ethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C28H30N8O2S3 MolecularWeight: 606.7852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)NC5=NN=C(S5)CC)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)NC5=NN=C(S5)CC)N)C#N

InChI

InChI=1S/C28H30N8O2S3/c1-5-15-7-9-16(10-8-15)22-17(13-29)24(30)36(18-11-28(3,4)12-19(37)23(18)22)26-34-35-27(41-26)39-14-20(38)31-25-33-32-21(6-2)40-25/h7-10,22H,5-6,11-12,14,30H2,1-4H3,(H,31,33,38)